TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T82577	Angiotensin-converting enzyme	D0E6XR	Dasatinib	Approved	3062316	C22H26ClN7O2S	488	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	Ki = 715000 nM	Non binder
T82577	Angiotensin-converting enzyme	B09KSD	(2S)-3-(1H-Indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid	Investigative	44316727	C14H16N2O3S	292.36	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CCS	IC50 > 1000000 nM	Non binder
T82577	Angiotensin-converting enzyme	B13PLX	Val-pro	Investigative	9837272	C10H18N2O3	214.26	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N	IC50 = 416869.38 nM	Non binder
T82577	Angiotensin-converting enzyme	B15HTY	Glycylmethionine	Investigative	151282	C7H14N2O3S	206.27	CSCC[C@@H](C(=O)O)NC(=O)CN	IC50 = 1412537.54 nM	Non binder
T82577	Angiotensin-converting enzyme	B16YVF	Glycyl-L-phenylalanine	Investigative	92953	C11H14N2O3	222.24	C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CN	IC50 = 602559.59 nM	Non binder
T82577	Angiotensin-converting enzyme	B18DNQ	Glycyl-L-leucine	Investigative	92843	C8H16N2O3	188.22	CC(C)C[C@@H](C(=O)O)NC(=O)CN	IC50 = 2511886.43 nM	Non binder
T82577	Angiotensin-converting enzyme	B1E8BN	Glycyl-L-glutamic acid	Investigative	99278	C7H12N2O5	204.18	C(CC(=O)O)[C@@H](C(=O)O)NC(=O)CN	IC50 = 5370317.96 nM	Non binder
T82577	Angiotensin-converting enzyme	B1KD6G	L-Alanyl-L-alanine	Investigative	5484352	C6H12N2O3	160.17	C[C@@H](C(=O)N[C@@H](C)C(=O)O)N	IC50 = 616595 nM	Non binder
T82577	Angiotensin-converting enzyme	B25LUH	L-Lysyl-L-alanine	Investigative	7010504	C9H19N3O3	217.27	C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N	IC50 = 380189.4 nM	Non binder
T82577	Angiotensin-converting enzyme	B2X6VS	N-(beta-Carboxypropionyl)-L-phenylalanine	Investigative	7039484	C13H15NO5	265.26	C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CCC(=O)O	IC50 = 549540.87 nM	Non binder
T82577	Angiotensin-converting enzyme	B2XJ3N	Glu-Gly	Investigative	6427052	C7H12N2O5	204.18	C(CC(=O)O)[C@@H](C(=O)NCC(=O)O)N	IC50 = 10000000 nM	Non binder
T82577	Angiotensin-converting enzyme	B3C4ZQ	Succinylglycine	Investigative	14954082	C6H9NO5	175.14	C(CC(=O)O)C(=O)NCC(=O)O	IC50 = 1995262.31 nM	Non binder
T82577	Angiotensin-converting enzyme	B3R7SL	Gly-his	Investigative	7023107	C8H12N4O3	212.21	C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CN	IC50 = 3090295.43 nM	Non binder
T82577	Angiotensin-converting enzyme	B3ZKX5	1-(4-Carboxy-pentanoyl)-pyrrolidine-2-carboxylic acid	Investigative	21319418	C11H17NO5	243.26	CC(CCC(=O)N1CCCC1C(=O)O)C(=O)O	IC50 = 260000 nM	Non binder
T82577	Angiotensin-converting enzyme	B40CAY	Lys-gly	Investigative	7022320	C8H17N3O3	203.24	C(CCN)C[C@@H](C(=O)NCC(=O)O)N	IC50 = 3235936.57 nM	Non binder
T82577	Angiotensin-converting enzyme	B4EMH2	L-Proline, 1-(3-mercapto-1-oxopropyl)-	Investigative	99978	C8H13NO3S	203.26	C1C[C@H](N(C1)C(=O)CCS)C(=O)O	IC50 = 1800000 nM	Non binder
T82577	Angiotensin-converting enzyme	B4OZU9	Tyr-Gly	Investigative	7021854	C11H14N2O4	238.24	C1=CC(=CC=C1C[C@@H](C(=O)NCC(=O)O)N)O	IC50 = 1995262.31 nM	Non binder
T82577	Angiotensin-converting enzyme	B4U7EK	Glycyl-L-serine	Investigative	73086	C5H10N2O4	162.14	C([C@@H](C(=O)O)NC(=O)CN)O	IC50 = 3801893.96 nM	Non binder
T82577	Angiotensin-converting enzyme	B4YG1S	Glycyl-l-glutamine	Investigative	123913	C7H13N3O4	203.2	C(CC(=O)N)[C@@H](C(=O)O)NC(=O)CN	IC50 = 7079457.84 nM	Non binder
T82577	Angiotensin-converting enzyme	B53GYP	Ile-gly	Investigative	6992869	C8H16N2O3	188.22	CC[C@H](C)[C@@H](C(=O)NCC(=O)O)N	IC50 = 1202264.43 nM	Non binder
T82577	Angiotensin-converting enzyme	B5U0EI	N-(3-Carboxypropanoyl)-L-leucine	Investigative	40458146	C10H17NO5	231.25	CC(C)C[C@@H](C(=O)O)NC(=O)CCC(=O)O	IC50 = 616595 nM	Non binder
T82577	Angiotensin-converting enzyme	B5UP9Y	(2S)-2-[[(2S,3R)-2,3-Dimethylpentanoyl]amino]-3-phenylpropanoic acid	Investigative	44317282	C16H23NO3	277.36	CC[C@@H](C)[C@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O	IC50 = 933254.3 nM	Non binder
T82577	Angiotensin-converting enzyme	B69KGP	Glycyl-L-alanine	Investigative	1551643	C5H10N2O3	146.14	C[C@@H](C(=O)O)NC(=O)CN	IC50 = 1995262.31 nM	Non binder
T82577	Angiotensin-converting enzyme	B6JF7D	Histidylleucine	Investigative	189008	C12H20N4O3	268.31	CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)N	IC50 = 3235936.57 nM	Non binder
T82577	Angiotensin-converting enzyme	B6M5QE	Phe-arg	Investigative	150903	C15H23N5O3	321.37	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N	IC50 = 912010.84 nM	Non binder
T82577	Angiotensin-converting enzyme	B6QGO8	N-[(S)-1-Carboxyethyl]succinamidic acid	Investigative	12190925	C7H11NO5	189.17	C[C@@H](C(=O)O)NC(=O)CCC(=O)O	IC50 = 1348962.88 nM	Non binder
T82577	Angiotensin-converting enzyme	B7JFN6	Val-gly	Investigative	6993111	C7H14N2O3	174.2	CC(C)[C@@H](C(=O)NCC(=O)O)N	IC50 = 1096478.2 nM	Non binder
T82577	Angiotensin-converting enzyme	B8LO9P	Glycyl-L-valine	Investigative	2724807	C7H14N2O3	174.2	CC(C)[C@@H](C(=O)O)NC(=O)CN	IC50 = 4570881.9 nM	Non binder
T82577	Angiotensin-converting enzyme	B8LS6X	Glycyl-L-proline	Investigative	3013625	C7H12N2O3	172.18	C1C[C@H](N(C1)C(=O)CN)C(=O)O	IC50 = 446683.59 nM	Non binder
T82577	Angiotensin-converting enzyme	B8M3WP	N-Glycyl-L-isoleucine	Investigative	88079	C8H16N2O3	188.22	CC[C@H](C)[C@@H](C(=O)O)NC(=O)CN	IC50 = 1202264.43 nM	Non binder
T82577	Angiotensin-converting enzyme	B8XP6V	(2S)-3-(1H-Imidazol-5-yl)-2-(3-sulfanylpropanoylamino)propanoic acid	Investigative	22805094	C9H13N3O3S	243.29	C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCS	IC50 = 229086.77 nM	Non binder
T82577	Angiotensin-converting enzyme	B90YNJ	Glycylglycine	Investigative	11163	C4H8N2O3	132.12	C(C(=O)NCC(=O)O)N	IC50 = 7244359.6 nM	Non binder
T82577	Angiotensin-converting enzyme	B96EFG	1-(4-Oxo-6-phenylhexanoyl)pyrrolidine-2-carboxylic acid	Investigative	44358403	C17H21NO4	303.35	C1CC(N(C1)C(=O)CCC(=O)CCC2=CC=CC=C2)C(=O)O	IC50 = 2600000 nM	Non binder
T82577	Angiotensin-converting enzyme	B9X0ZC	1-Piperidineacetic acid, 3-amino-2-oxo-	Investigative	18542459	C7H12N2O3	172.18	C1CC(C(=O)N(C1)CC(=O)O)N	IC50 = 1700000 nM	Non binder
T82577	Angiotensin-converting enzyme	BA0FB1	6-Mercaptohexanoic acid	Investigative	329113	C6H12O2S	148.23	C(CCC(=O)O)CCS	IC50 = 1096478.2 nM	Non binder
T82577	Angiotensin-converting enzyme	BA14PI	5-Oxo-1-(3-sulfanylpropyl)pyrrolidine-2-carboxylic acid	Investigative	44337791	C8H13NO3S	203.26	C1CC(=O)N(C1C(=O)O)CCCS	IC50 = 1000000000 nM	Non binder
T82577	Angiotensin-converting enzyme	BAC3V5	(2S)-1-[(2S)-2-(3-Phenylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid	Investigative	54268836	C17H22N2O4	318.4	C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CCC2=CC=CC=C2	IC50 = 330000 nM	Non binder
T82577	Angiotensin-converting enzyme	BB84ZQ	Arginylalanine	Investigative	7020333	C9H19N5O3	245.28	C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N	IC50 = 457088.19 nM	Non binder
T82577	Angiotensin-converting enzyme	BBZ03H	3-Aminohexahydro-2-oxo-1H-azepine-1-acetic acid	Investigative	13749496	C8H14N2O3	186.21	C1CCN(C(=O)C(C1)N)CC(=O)O	IC50 = 480000 nM	Non binder
T82577	Angiotensin-converting enzyme	BCRW26	1-L-Alanyl-D-proline	Investigative	108985	C8H14N2O3	186.21	C[C@@H](C(=O)N1CCC[C@@H]1C(=O)O)N	IC50 = 229086.77 nM	Non binder
T82577	Angiotensin-converting enzyme	BD20WN	Chembl4172457	Investigative	145949262	C18H35N3O5	373.5	CCCCCCC[C@@H](C(C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)O)N	IC50 = 460000 nM	Non binder
T82577	Angiotensin-converting enzyme	BDHV51	N-(2-Sulfanylpropanoyl)-L-cysteine	Investigative	21152492	C6H11NO3S2	209.3	CC(C(=O)N[C@@H](CS)C(=O)O)S	IC50 = 537031.8 nM	Non binder
T82577	Angiotensin-converting enzyme	BDSX01	Glutaminylglycine	Investigative	6992691	C7H13N3O4	203.2	C(CC(=O)N)[C@@H](C(=O)NCC(=O)O)N	IC50 = 7413102.41 nM	Non binder
T82577	Angiotensin-converting enzyme	BDW48T	Geraniin	Investigative	3001497	C41H28O27	952.6	C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)[C@@](C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O	IC50 = 400000 nM	Non binder
T82577	Angiotensin-converting enzyme	BF61OJ	Ser-gly	Investigative	7009644	C5H10N2O4	162.14	C([C@@H](C(=O)NCC(=O)O)N)O	IC50 = 8511380.38 nM	Non binder
T82577	Angiotensin-converting enzyme	BF6PM4	Glycyl-L-tyrosine	Investigative	92829	C11H14N2O4	238.24	C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CN)O	IC50 = 208929.61 nM	Non binder
T82577	Angiotensin-converting enzyme	BG51CT	L-Methionylglycine	Investigative	6992930	C7H14N2O3S	206.27	CSCC[C@@H](C(=O)NCC(=O)O)N	IC50 = 4786300.92 nM	Non binder
T82577	Angiotensin-converting enzyme	BGA4B5	L-Prolylglycine	Investigative	6426709	C7H12N2O3	172.18	C1C[C@H](NC1)C(=O)NCC(=O)O	IC50 = 16982436.52 nM	Non binder
T82577	Angiotensin-converting enzyme	BGR35L	2,3,6,7-Tetrahydroxyxanthen-9-one	Investigative	10355231	C13H8O6	260.2	C1=C2C(=CC(=C1O)O)OC3=CC(=C(C=C3C2=O)O)O	IC50 = 769000 nM	Non binder
T82577	Angiotensin-converting enzyme	BH83QO	Norathyriol	Investigative	5281656	C13H8O6	260.2	C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O	Ki = 250200 nM	Non binder
T82577	Angiotensin-converting enzyme	BI45TR	3-Oxo-3-[(1-phenyl-3-sulfanylpropan-2-yl)amino]propanoic acid	Investigative	133842	C12H15NO3S	253.32	C1=CC=C(C=C1)CC(CS)NC(=O)CC(=O)O	IC50 = 1000000000 nM	Non binder
T82577	Angiotensin-converting enzyme	BIFK60	Aspartylalanine	Investigative	5491963	C7H12N2O5	204.18	C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N	IC50 = 3801893.96 nM	Non binder
T82577	Angiotensin-converting enzyme	BIYR39	Glycyl-L-threonine	Investigative	111257	C6H12N2O4	176.17	C[C@H]([C@@H](C(=O)O)NC(=O)CN)O	IC50 = 5754399.37 nM	Non binder
T82577	Angiotensin-converting enzyme	BJ36LP	(2S)-2-(3-Carboxypropanoylamino)-3-methylpentanoic acid	Investigative	44316726	C10H17NO5	231.25	CCC(C)[C@@H](C(=O)O)NC(=O)CCC(=O)O	IC50 = 1047128.55 nM	Non binder
T82577	Angiotensin-converting enzyme	BLTJ56	Glycyl-L-aspartic acid	Investigative	97363	C6H10N2O5	190.15	C([C@@H](C(=O)O)NC(=O)CN)C(=O)O	IC50 = 9120108.39 nM	Non binder
T82577	Angiotensin-converting enzyme	BM2GF0	Gly-lys	Investigative	3080576	C8H17N3O3	203.24	C(CCN)C[C@@H](C(=O)O)NC(=O)CN	IC50 = 5370317.96 nM	Non binder
T82577	Angiotensin-converting enzyme	BMR13S	Tyr-Ala	Investigative	5496455	C12H16N2O4	252.27	C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N	IC50 = 457088.19 nM	Non binder
T82577	Angiotensin-converting enzyme	BNDX23	Bucillamine	Investigative	656604	C7H13NO3S2	223.3	CC(C)(C(=O)N[C@@H](CS)C(=O)O)S	IC50 = 7244359.6 nM	Non binder
T82577	Angiotensin-converting enzyme	BNK2M1	1-(3-Mercapto-propionyl)-(R)-pyrrolidine-2-carboxylic acid	Investigative	44317006	C8H13NO3S	203.26	C1C[C@@H](N(C1)C(=O)CCS)C(=O)O	IC50 = 1819700.86 nM	Non binder
T82577	Angiotensin-converting enzyme	BOA1H6	2-[[(2S,3S)-2-Amino-3-hydroxybutanoyl]amino]acetic acid	Investigative	6427013	C6H12N2O4	176.17	C[C@@H]([C@@H](C(=O)NCC(=O)O)N)O	IC50 = 10000000 nM	Non binder
T82577	Angiotensin-converting enzyme	BOGY59	Arginylphenylalanine	Investigative	150964	C15H23N5O3	321.37	C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N	IC50 = 229086.77 nM	Non binder
T82577	Angiotensin-converting enzyme	BP5KQ3	L-Proline, 1-(3-mercaptopropyl)-	Investigative	44316752	C8H15NO2S	189.28	C1C[C@H](N(C1)CCCS)C(=O)O	IC50 = 239883.29 nM	Non binder
T82577	Angiotensin-converting enzyme	BQ6C3L	[(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] dithiolane-4-carboxylate	Investigative	122179190	C10H16O7S2	312.4	C1C(CSS1)C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	IC50 = 347000 nM	Non binder
T82577	Angiotensin-converting enzyme	BQ91IJ	1-(4-Carboxy-4-methylbutanoyl)-L-proline	Investigative	44368529	C11H17NO5	243.26	CC(CCC(=O)N1CCC[C@H]1C(=O)O)C(=O)O	IC50 = 260000 nM	Non binder
T82577	Angiotensin-converting enzyme	BR04YB	L-Proline, 1-(3-mercaptopropyl)-5-oxo-	Investigative	44317245	C8H13NO3S	203.26	C1CC(=O)N([C@@H]1C(=O)O)CCCS	IC50 = 645654.23 nM	Non binder
T82577	Angiotensin-converting enzyme	BR98FC	Ile-Phe	Investigative	7009596	C15H22N2O3	278.35	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N	IC50 = 933254.3 nM	Non binder
T82577	Angiotensin-converting enzyme	BS5Y2N	(2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]butanedioic acid	Investigative	44316834	C8H13NO5S	235.26	CC(C)(C(=O)N[C@@H](CC(=O)O)C(=O)O)S	IC50 = 3467368.5 nM	Non binder
T82577	Angiotensin-converting enzyme	BT59GU	Leu-Gly	Investigative	97364	C8H16N2O3	188.22	CC(C)C[C@@H](C(=O)NCC(=O)O)N	IC50 = 8709635.9 nM	Non binder
T82577	Angiotensin-converting enzyme	BU1N0Q	Histidylglycine	Investigative	101179	C8H12N4O3	212.21	C1=C(NC=N1)C[C@@H](C(=O)NCC(=O)O)N	IC50 = 6309573.44 nM	Non binder
T82577	Angiotensin-converting enzyme	BUB7N3	Glutamylalanine	Investigative	6992506	C8H14N2O5	218.21	C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N	IC50 = 10000000 nM	Non binder
T82577	Angiotensin-converting enzyme	BV8L3Q	(3-Amino-2-oxo-azocan-1-yl)-acetic acid	Investigative	13608313	C9H16N2O3	200.23	C1CCC(C(=O)N(CC1)CC(=O)O)N	IC50 = 440000 nM	Non binder
T82577	Angiotensin-converting enzyme	BVC7R8	3-(3-Sulfanylpropanoylamino)propanoic acid	Investigative	44317265	C6H11NO3S	177.22	C(CNC(=O)CCS)C(=O)O	IC50 = 489778.82 nM	Non binder
T82577	Angiotensin-converting enzyme	BW1XG2	N-Mercaptoacetyl-L-histidine	Investigative	10900407	C8H11N3O3S	229.26	C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CS	IC50 = 257039.58 nM	Non binder
T82577	Angiotensin-converting enzyme	BW3Q7T	Asp-gly	Investigative	151148	C6H10N2O5	190.15	C([C@@H](C(=O)NCC(=O)O)N)C(=O)O	IC50 = 14125375.45 nM	Non binder
T82577	Angiotensin-converting enzyme	BWGM19	Ala-Gly	Investigative	6998029	C5H10N2O3	146.14	C[C@@H](C(=O)NCC(=O)O)N	IC50 = 2511886.43 nM	Non binder
T82577	Angiotensin-converting enzyme	BXBZ65	Tryptophylglycine	Investigative	97054	C13H15N3O3	261.279	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC(=O)O)N	IC50 = 5888436.55 nM	Non binder
T82577	Angiotensin-converting enzyme	BXE6Y1	Gly-Arg	Investigative	6426706	C8H17N5O3	231.25	C(C[C@@H](C(=O)O)NC(=O)CN)CN=C(N)N	IC50 = 3235936.57 nM	Non binder
T82577	Angiotensin-converting enzyme	BZ7FY2	(2S)-2-(3-Carboxypropanoylamino)-3-methylbutanoic acid	Investigative	40532589	C9H15NO5	217.22	CC(C)[C@@H](C(=O)O)NC(=O)CCC(=O)O	IC50 = 1096478.2 nM	Non binder
T82577	Angiotensin-converting enzyme	BZE2P7	L-Leucyl-L-alanine	Investigative	81721	C9H18N2O3	202.25	C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)N	IC50 = 309029.54 nM	Non binder
T82577	Angiotensin-converting enzyme	D03SPJ	CORILAGIN	Investigative	73568	C27H22O18	634.5	C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O	IC50 = 3700000 nM	Non binder
T82577	Angiotensin-converting enzyme	D0A1CM	ELLAGIC ACID	Investigative	5281855	C14H6O8	302.19	C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O	IC50 = 5000000 nM	Non binder
T82577	Angiotensin-converting enzyme	D0G3YZ	(+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid	Investigative	11391583	C17H18O3	270.32	C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC(=O)O)O	IC50 > 250000 nM	Non binder
T82577	Angiotensin-converting enzyme	D0Y3TZ	GALLICACID	Investigative	370	C7H6O5	170.12	C1=C(C=C(C(=C1O)O)O)C(=O)O	IC50 = 7700000 nM	Non binder