Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50029963   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50289727 (4-Hydroxy-piperidine-1-carboxylic acid ((S)-1-{[(S...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1 Show InChI InChI=1S/C36H56N6O6/c1-24(2)32(44)21-33(45)29(18-25-10-6-4-7-11-25)39-34(46)31(20-27-22-37-23-38-27)41(3)35(47)30(19-26-12-8-5-9-13-26)40-36(48)42-16-14-28(43)15-17-42/h5,8-9,12-13,22-25,28-33,43-45H,4,6-7,10-11,14-21H2,1-3H3,(H,37,38)(H,39,46)(H,40,48)/t29-,30-,31-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289726 (1H-Benzoimidazole-2-carboxylic acid [(S)-1-((1S,2S...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C28H40N6O4/c1-17(2)24(35)14-25(36)22(12-18-8-4-3-5-9-18)33-27(37)23(13-19-15-29-16-30-19)34-28(38)26-31-20-10-6-7-11-21(20)32-26/h6-7,10-11,15-18,22-25,35-36H,3-5,8-9,12-14H2,1-2H3,(H,29,30)(H,31,32)(H,33,37)(H,34,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289714 (1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of marmoset plasma renin, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289714 (1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289716 (5-Fluoro-1H-indole-2-carboxylic acid [(S)-1-((1S,2...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C29H40FN5O4/c1-17(2)26(36)14-27(37)23(10-18-6-4-3-5-7-18)34-29(39)25(13-21-15-31-16-32-21)35-28(38)24-12-19-11-20(30)8-9-22(19)33-24/h8-9,11-12,15-18,23,25-27,33,36-37H,3-7,10,13-14H2,1-2H3,(H,31,32)(H,34,39)(H,35,38)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289724 (1-Oxo-1,2-dihydro-isoquinoline-3-carboxylic acid [...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C30H41N5O5/c1-18(2)26(36)15-27(37)23(12-19-8-4-3-5-9-19)33-30(40)25(14-21-16-31-17-32-21)35-29(39)24-13-20-10-6-7-11-22(20)28(38)34-24/h6-7,10-11,13,16-19,23,25-27,36-37H,3-5,8-9,12,14-15H2,1-2H3,(H,31,32)(H,33,40)(H,34,38)(H,35,39)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289714 (1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of dog plasma renin, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289723 (Benzofuran-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C29H40N4O5/c1-18(2)24(34)15-25(35)22(12-19-8-4-3-5-9-19)32-28(36)23(14-21-16-30-17-31-21)33-29(37)27-13-20-10-6-7-11-26(20)38-27/h6-7,10-11,13,16-19,22-25,34-35H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,32,36)(H,33,37)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289720 (5-Chloro-1H-indole-2-carboxylic acid [(S)-1-((1S,2...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C29H40ClN5O4/c1-17(2)26(36)14-27(37)23(10-18-6-4-3-5-7-18)34-29(39)25(13-21-15-31-16-32-21)35-28(38)24-12-19-11-20(30)8-9-22(19)33-24/h8-9,11-12,15-18,23,25-27,33,36-37H,3-7,10,13-14H2,1-2H3,(H,31,32)(H,34,39)(H,35,38)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289722 (1-Acetyl-1H-indole-2-carboxylic acid [(S)-1-((1S,2...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2n1C(C)=O Show InChI InChI=1S/C31H43N5O5/c1-19(2)28(38)16-29(39)24(13-21-9-5-4-6-10-21)34-30(40)25(15-23-17-32-18-33-23)35-31(41)27-14-22-11-7-8-12-26(22)36(27)20(3)37/h7-8,11-12,14,17-19,21,24-25,28-29,38-39H,4-6,9-10,13,15-16H2,1-3H3,(H,32,33)(H,34,40)(H,35,41)/t24-,25-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289721 ((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C30H45N5O4/c1-19(2)27(36)15-28(37)24(12-20-8-4-3-5-9-20)34-30(39)26(14-23-17-31-18-33-23)35-29(38)25-13-21-10-6-7-11-22(21)16-32-25/h6-7,10-11,17-20,24-28,32,36-37H,3-5,8-9,12-16H2,1-2H3,(H,31,33)(H,34,39)(H,35,38)/t24-,25-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289718 (5-Hydroxy-1H-indole-2-carboxylic acid [(S)-1-((1S,...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C29H41N5O5/c1-17(2)26(36)14-27(37)23(10-18-6-4-3-5-7-18)33-29(39)25(13-20-15-30-16-31-20)34-28(38)24-12-19-11-21(35)8-9-22(19)32-24/h8-9,11-12,15-18,23,25-27,32,35-37H,3-7,10,13-14H2,1-2H3,(H,30,31)(H,33,39)(H,34,38)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289725 (CHEMBL301306 | Isoquinoline-3-carboxylic acid [(S)...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2cn1 Show InChI InChI=1S/C30H41N5O4/c1-19(2)27(36)15-28(37)24(12-20-8-4-3-5-9-20)34-30(39)26(14-23-17-31-18-33-23)35-29(38)25-13-21-10-6-7-11-22(21)16-32-25/h6-7,10-11,13,16-20,24,26-28,36-37H,3-5,8-9,12,14-15H2,1-2H3,(H,31,33)(H,34,39)(H,35,38)/t24-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289715 (1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid [(S)-1...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cccnc2[nH]1 Show InChI InChI=1S/C28H40N6O4/c1-17(2)24(35)14-25(36)21(11-18-7-4-3-5-8-18)33-28(38)23(13-20-15-29-16-31-20)34-27(37)22-12-19-9-6-10-30-26(19)32-22/h6,9-10,12,15-18,21,23-25,35-36H,3-5,7-8,11,13-14H2,1-2H3,(H,29,31)(H,30,32)(H,33,38)(H,34,37)/t21-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289713 (2,3-Dihydro-1H-indole-2-carboxylic acid [(S)-1-((1...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1Cc2ccccc2N1 Show InChI InChI=1S/C29H43N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,16-19,23-27,32,35-36H,3-5,8-9,12-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,24?,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289713 (2,3-Dihydro-1H-indole-2-carboxylic acid [(S)-1-((1...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1Cc2ccccc2N1 Show InChI InChI=1S/C29H43N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,16-19,23-27,32,35-36H,3-5,8-9,12-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,24?,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of monkey plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289719 (1H-Pyrrole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc[nH]1 Show InChI InChI=1S/C25H39N5O4/c1-16(2)22(31)13-23(32)20(11-17-7-4-3-5-8-17)29-25(34)21(12-18-14-26-15-28-18)30-24(33)19-9-6-10-27-19/h6,9-10,14-17,20-23,27,31-32H,3-5,7-8,11-13H2,1-2H3,(H,26,28)(H,29,34)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289714 (1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50289717 (Benzo[b]thiophene-2-carboxylic acid [(S)-1-((1S,2S...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C29H40N4O4S/c1-18(2)24(34)15-25(35)22(12-19-8-4-3-5-9-19)32-28(36)23(14-21-16-30-17-31-21)33-29(37)27-13-20-10-6-7-11-26(20)38-27/h6-7,10-11,13,16-19,22-25,34-35H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,32,36)(H,33,37)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50289714 (1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against cathepsin D (bovine), expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50289714 (1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against ACE human, expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50289714 (1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory effect of the compound was evaluated against pepsin, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50289714 (1H-Indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-c...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C29H41N5O4/c1-18(2)26(35)15-27(36)23(12-19-8-4-3-5-9-19)33-29(38)25(14-21-16-30-17-31-21)34-28(37)24-13-20-10-6-7-11-22(20)32-24/h6-7,10-11,13,16-19,23,25-27,32,35-36H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,33,38)(H,34,37)/t23-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect of the compound was evaluated for plasma renin activity (PRA) of rat plasma renin, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
					More data for this Ligand-Target Pair