Compile Data Set for Download or QSAR

Found 2400 hits with Last Name = 'maibaum' and Initial = 'j'   

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
Pepsin A (Porcine)	BDBM50022520 (CHEMBL3349395 | H2N-Abu-Pro-Phe-Abu-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCN Show InChI InChI=1S/C46H69N7O9/c1-30(2)25-34(39(54)29-41(56)50-35(26-31(3)4)44(59)52-37(46(61)62-5)28-33-17-10-7-11-18-33)49-40(55)20-13-23-48-43(58)36(27-32-15-8-6-9-16-32)51-45(60)38-19-14-24-53(38)42(57)21-12-22-47/h6-11,15-18,30-31,34-39,54H,12-14,19-29,47H2,1-5H3,(H,48,58)(H,49,55)(H,50,56)(H,51,60)(H,52,59)/t34?,35-,36-,37-,38-,39?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 6.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50227343 (CHEMBL3349391) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(C)C Show InChI InChI=1S/C37H54N6O8/c1-22(2)17-28(30(44)20-31(45)40-24(5)34(47)42-29(37(50)51-6)19-26-15-11-8-12-16-26)41-36(49)33(23(3)4)43-32(46)21-39-35(48)27(38)18-25-13-9-7-10-14-25/h7-16,22-24,27-30,33,44H,17-21,38H2,1-6H3,(H,39,48)(H,40,45)(H,41,49)(H,42,47)(H,43,46)/t24-,27-,28-,29-,30-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4.0 (time-dependent inhibition, T1/2>30 s)				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022512 (CHEMBL3349394 | Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(61)26-43(62)55-38(22-30(3)4)48(67)57-37(44(51)63)23-33-15-10-8-11-16-33)56-46(65)32(7)54-47(66)39(24-34-17-12-9-13-18-34)58-49(68)41-19-14-20-60(41)50(69)40(59-45(64)31(5)6)25-35-27-52-28-53-35/h8-13,15-18,27-32,36-42,61H,14,19-26H2,1-7H3,(H2,51,63)(H,52,53)(H,54,66)(H,55,62)(H,56,65)(H,57,67)(H,58,68)(H,59,64)/t32-,36?,37-,38-,39-,40?,41-,42?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022507 (CHEMBL3349407 | H2N-His-Pro-Phe-His-Sta-Leu-PheOMe) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H68N12O8/c1-29(2)18-36(42(62)24-43(63)56-38(19-30(3)4)45(65)58-37(44(51)64)20-31-12-7-5-8-13-31)57-47(67)40(23-34-26-53-28-55-34)59-46(66)39(21-32-14-9-6-10-15-32)60-48(68)41-16-11-17-61(41)49(69)35(50)22-33-25-52-27-54-33/h5-10,12-15,25-30,35-42,62H,11,16-24,50H2,1-4H3,(H2,51,64)(H,52,54)(H,53,55)(H,56,63)(H,57,67)(H,58,65)(H,59,66)(H,60,68)/t35-,36?,37-,38-,39-,40-,41-,42?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 7.4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022520 (CHEMBL3349395 | H2N-Abu-Pro-Phe-Abu-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCN Show InChI InChI=1S/C46H69N7O9/c1-30(2)25-34(39(54)29-41(56)50-35(26-31(3)4)44(59)52-37(46(61)62-5)28-33-17-10-7-11-18-33)49-40(55)20-13-23-48-43(58)36(27-32-15-8-6-9-16-32)51-45(60)38-19-14-24-53(38)42(57)21-12-22-47/h6-11,15-18,30-31,34-39,54H,12-14,19-29,47H2,1-5H3,(H,48,58)(H,49,55)(H,50,56)(H,51,60)(H,52,59)/t34?,35-,36-,37-,38-,39?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 7.4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022517 (CHEMBL3349397 | POA-Leu-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H60N4O9/c1-22(2)16-26(40-33(45)28(18-24(5)6)39-32(44)21-50-36(48)37(7,8)9)30(42)20-31(43)38-27(17-23(3)4)34(46)41-29(35(47)49-10)19-25-14-12-11-13-15-25/h11-15,22-24,26-30,42H,16-21H2,1-10H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t26?,27-,28-,29-,30?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022519 (CHEMBL3349393 | Ibu-His-Pro-Phe-His-Sta-Leu-PheNH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H74N12O9/c1-31(2)20-38(45(66)26-46(67)59-40(21-32(3)4)49(70)61-39(47(54)68)22-34-14-9-7-10-15-34)60-51(72)42(24-36-27-55-29-57-36)62-50(71)41(23-35-16-11-8-12-17-35)63-52(73)44-18-13-19-65(44)53(74)43(64-48(69)33(5)6)25-37-28-56-30-58-37/h7-12,14-17,27-33,38-45,66H,13,18-26H2,1-6H3,(H2,54,68)(H,55,57)(H,56,58)(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,73)(H,64,69)/t38?,39-,40-,41-,42-,43?,44-,45?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 7.4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022519 (CHEMBL3349393 | Ibu-His-Pro-Phe-His-Sta-Leu-PheNH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H74N12O9/c1-31(2)20-38(45(66)26-46(67)59-40(21-32(3)4)49(70)61-39(47(54)68)22-34-14-9-7-10-15-34)60-51(72)42(24-36-27-55-29-57-36)62-50(71)41(23-35-16-11-8-12-17-35)63-52(73)44-18-13-19-65(44)53(74)43(64-48(69)33(5)6)25-37-28-56-30-58-37/h7-12,14-17,27-33,38-45,66H,13,18-26H2,1-6H3,(H2,54,68)(H,55,57)(H,56,58)(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,73)(H,64,69)/t38?,39-,40-,41-,42-,43?,44-,45?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022507 (CHEMBL3349407 | H2N-His-Pro-Phe-His-Sta-Leu-PheOMe) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H68N12O8/c1-29(2)18-36(42(62)24-43(63)56-38(19-30(3)4)45(65)58-37(44(51)64)20-31-12-7-5-8-13-31)57-47(67)40(23-34-26-53-28-55-34)59-46(66)39(21-32-14-9-6-10-15-32)60-48(68)41-16-11-17-61(41)49(69)35(50)22-33-25-52-27-54-33/h5-10,12-15,25-30,35-42,62H,11,16-24,50H2,1-4H3,(H2,51,64)(H,52,54)(H,53,55)(H,56,63)(H,57,67)(H,58,65)(H,59,66)(H,60,68)/t35-,36?,37-,38-,39-,40-,41-,42?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50022517 (CHEMBL3349397 | POA-Leu-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H60N4O9/c1-22(2)16-26(40-33(45)28(18-24(5)6)39-32(44)21-50-36(48)37(7,8)9)30(42)20-31(43)38-27(17-23(3)4)34(46)41-29(35(47)49-10)19-25-14-12-11-13-15-25/h11-15,22-24,26-30,42H,16-21H2,1-10H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t26?,27-,28-,29-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of rabbit liver cathepsin D at pH 4.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022515 (CHEMBL3349396 | POA-His-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H56N6O9/c1-22(2)14-26(42-34(48)28(17-25-19-38-21-39-25)41-32(46)20-52-36(50)37(5,6)7)30(44)18-31(45)40-27(15-23(3)4)33(47)43-29(35(49)51-8)16-24-12-10-9-11-13-24/h9-13,19,21-23,26-30,44H,14-18,20H2,1-8H3,(H,38,39)(H,40,45)(H,41,46)(H,42,48)(H,43,47)/t26?,27-,28-,29-,30?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022512 (CHEMBL3349394 | Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(61)26-43(62)55-38(22-30(3)4)48(67)57-37(44(51)63)23-33-15-10-8-11-16-33)56-46(65)32(7)54-47(66)39(24-34-17-12-9-13-18-34)58-49(68)41-19-14-20-60(41)50(69)40(59-45(64)31(5)6)25-35-27-52-28-53-35/h8-13,15-18,27-32,36-42,61H,14,19-26H2,1-7H3,(H2,51,63)(H,52,53)(H,54,66)(H,55,62)(H,56,65)(H,57,67)(H,58,68)(H,59,64)/t32-,36?,37-,38-,39-,40?,41-,42?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 7.4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022513 (CHEMBL3349389 | H2N-Phe-Gly-His-(S,S)-Sta-Ala-Phe-...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C38H52N8O8/c1-23(2)15-29(32(47)19-33(48)43-24(3)35(50)46-31(38(53)54-4)17-26-13-9-6-10-14-26)45-37(52)30(18-27-20-40-22-42-27)44-34(49)21-41-36(51)28(39)16-25-11-7-5-8-12-25/h5-14,20,22-24,28-32,47H,15-19,21,39H2,1-4H3,(H,40,42)(H,41,51)(H,43,48)(H,44,49)(H,45,52)(H,46,50)/t24-,28-,29?,30-,31-,32?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022515 (CHEMBL3349396 | POA-His-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H56N6O9/c1-22(2)14-26(42-34(48)28(17-25-19-38-21-39-25)41-32(46)20-52-36(50)37(5,6)7)30(44)18-31(45)40-27(15-23(3)4)33(47)43-29(35(49)51-8)16-24-12-10-9-11-13-24/h9-13,19,21-23,26-30,44H,14-18,20H2,1-8H3,(H,38,39)(H,40,45)(H,41,46)(H,42,48)(H,43,47)/t26?,27-,28-,29-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 7.4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022517 (CHEMBL3349397 | POA-Leu-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H60N4O9/c1-22(2)16-26(40-33(45)28(18-24(5)6)39-32(44)21-50-36(48)37(7,8)9)30(42)20-31(43)38-27(17-23(3)4)34(46)41-29(35(47)49-10)19-25-14-12-11-13-15-25/h11-15,22-24,26-30,42H,16-21H2,1-10H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t26?,27-,28-,29-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 7.4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50022515 (CHEMBL3349396 | POA-His-Sta-Leu-PheOMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C37H56N6O9/c1-22(2)14-26(42-34(48)28(17-25-19-38-21-39-25)41-32(46)20-52-36(50)37(5,6)7)30(44)18-31(45)40-27(15-23(3)4)33(47)43-29(35(49)51-8)16-24-12-10-9-11-13-24/h9-13,19,21-23,26-30,44H,14-18,20H2,1-8H3,(H,38,39)(H,40,45)(H,41,46)(H,42,48)(H,43,47)/t26?,27-,28-,29-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of rabbit liver cathepsin D at pH 4.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022523 (CHEMBL347185 | H2N-Phe-Gly-His-Nph-Phe-Ala-Phe-OMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C48H54N10O10/c1-30(43(60)57-41(48(65)68-2)25-33-16-10-5-11-17-33)53-45(62)38(23-32-14-8-4-9-15-32)55-46(63)39(24-34-18-20-36(21-19-34)58(66)67)56-47(64)40(26-35-27-50-29-52-35)54-42(59)28-51-44(61)37(49)22-31-12-6-3-7-13-31/h3-21,27,29-30,37-41H,22-26,28,49H2,1-2H3,(H,50,52)(H,51,61)(H,53,62)(H,54,59)(H,55,63)(H,56,64)(H,57,60)/t30-,37-,38-,39-,40-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase LATS1 (Homo sapiens (Human))	BDBM574325 (US11458138, Example 154) Show SMILES CC1(CC1)Nc1nc(nc2cnccc12)-c1ccnc2[nH]ccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LATS1 biochemical HTRF assay was performed using the HTRF KinEASE-STK S1 kit (CisBio, catalogue number 62ST1PEC) according to manufacturer's ...				Citation and Details BindingDB Entry DOI: 10.7270/Q21Z47NH
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50330345 (CHEMBL1276275 | N-(2-(7-(((3R,4R)-4-(4-(3-(2-metho...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCN(CCNC(C)=O)c2c1 |r| Show InChI InChI=1S/C36H47N3O5/c1-27(40)38-18-20-39-19-5-8-30-11-10-28(23-34(30)39)25-44-36-24-37-17-16-33(36)29-12-14-32(15-13-29)43-22-6-21-42-26-31-7-3-4-9-35(31)41-2/h3-4,7,9-15,23,33,36-37H,5-6,8,16-22,24-26H2,1-2H3,(H,38,40)/t33-,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50330350 ((R)-3-((3S,4R,5R)-4-(4-(3-(2-methoxybenzyloxy)prop...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1[C@@H](CNC[C@@H]1OCc1cc(OC)c2ccccc2c1)OC[C@H](O)CO |r| Show InChI InChI=1S/C37H45NO8/c1-41-33-11-6-4-9-29(33)24-43-16-7-17-44-31-14-12-27(13-15-31)37-35(20-38-21-36(37)46-25-30(40)22-39)45-23-26-18-28-8-3-5-10-32(28)34(19-26)42-2/h3-6,8-15,18-19,30,35-40H,7,16-17,20-25H2,1-2H3/t30-,35+,36-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18012 (trans,trans-4-arylpiperidine-based compound, 1) Show SMILES COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r| Show InChI InChI=1S/C38H47NO8/c1-41-25-31(40)26-47-37-22-39-21-36(46-23-27-19-29-9-4-6-11-33(29)35(20-27)43-3)38(37)28-13-15-32(16-14-28)45-18-8-17-44-24-30-10-5-7-12-34(30)42-2/h4-7,9-16,19-20,31,36-40H,8,17-18,21-26H2,1-3H3/t31-,36+,37-,38-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0670	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17945 ((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C |r| Show InChI InChI=1S/C29H49N3O6/c1-7-8-13-31-28(35)22(20(2)3)14-25(33)23(30)15-29(4,5)16-27(34)32-17-21(18-37-19-36-6)38-26-12-10-9-11-24(26)32/h9-12,20-23,25,33H,7-8,13-19,30H2,1-6H3,(H,31,35)/t21-,22-,23-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50330354 (6-(((R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl...) Show SMILES COCCCN1C2C=C(SC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)C=CC2OCC1=O |r,c:41,t:7| Show InChI InChI=1S/C34H43N3O7S/c1-40-16-5-15-36-30-19-29(13-14-32(30)44-23-34(36)39)45-24-27-20-35-21-33(38)37(27)26-9-11-28(12-10-26)43-18-6-17-42-22-25-7-3-4-8-31(25)41-2/h3-4,7-14,19,27,30,32,35H,5-6,15-18,20-24H2,1-2H3/t27-,30?,32?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98684 (US8497286, 160) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98678 (US8497286, 154) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50330355 ((1R,5S)-N-cyclopropyl-7-(4-(2-(2,6-dichloro-4-meth...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)C2=C([C@H]3CNC[C@@H](C2)N3)C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r,t:17| Show InChI InChI=1S/C35H39Cl2N3O3/c1-21-15-30(36)34(31(37)16-21)43-14-13-42-28-11-7-24(8-12-28)29-17-26-18-38-19-32(39-26)33(29)35(41)40(27-9-10-27)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,15-16,26-27,32,38-39H,9-10,13-14,17-20H2,1-3H3/t26-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM98679 (US8497286, 155) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O4/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32)/t19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50077699 (7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCNc2c1 Show InChI InChI=1S/C32H40N2O4/c1-35-31-8-3-2-6-27(31)23-36-18-5-19-37-28-13-11-25(12-14-28)29-15-17-33-21-32(29)38-22-24-9-10-26-7-4-16-34-30(26)20-24/h2-3,6,8-14,20,29,32-34H,4-5,7,15-19,21-23H2,1H3/t29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50330352 (CHEMBL1276278 | N-(2-(7-(((R)-1-(4-(3-(2-methoxybe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COC2=CC3C(CCCN3CCNC(C)=O)C=C2)CNCC1=O |r,c:41,t:26| Show InChI InChI=1S/C35H46N4O6/c1-26(40)37-16-18-38-17-5-8-27-10-13-32(21-33(27)38)45-25-30-22-36-23-35(41)39(30)29-11-14-31(15-12-29)44-20-6-19-43-24-28-7-3-4-9-34(28)42-2/h3-4,7,9-15,21,27,30,33,36H,5-6,8,16-20,22-25H2,1-2H3,(H,37,40)/t27?,30-,33?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50330360 (CHEMBL1276272 | N-((2S,4S,5S,7S)-7-(2-(1-acetylpip...) Show SMILES COCCCCOc1ccccc1C(=O)NC[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC1CCN(CC1)C(C)=O)C(C)C |r| Show InChI InChI=1S/C35H60N4O6/c1-24(2)28(23-38-34(42)29-11-7-8-12-33(29)45-20-10-9-19-44-6)21-31(36)32(41)22-30(25(3)4)35(43)37-16-13-27-14-17-39(18-15-27)26(5)40/h7-8,11-12,24-25,27-28,30-32,41H,9-10,13-23,36H2,1-6H3,(H,37,43)(H,38,42)/t28-,30+,31+,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of renin in plasma				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50054540 (CHEMBL3318939) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cc1F)C(C)C |r| Show InChI InChI=1S/C31H50FN3O5/c1-7-39-19-24(13-20(2)3)34-30(36)22-14-23(18-33-17-22)31(37)35(25-9-10-25)28-16-29(40-12-8-11-38-6)26(21(4)5)15-27(28)32/h15-16,20-25,33H,7-14,17-19H2,1-6H3,(H,34,36)/t22-,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054632 (CHEMBL3318940) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc2N(CCCOC)C(=O)C(C)(C)Oc2cc1F |r| Show InChI InChI=1S/C32H49FN4O6.ClH/c1-7-42-19-23(13-20(2)3)35-29(38)21-14-22(18-34-17-21)30(39)37(24-9-10-24)26-16-27-28(15-25(26)33)43-32(4,5)31(40)36(27)11-8-12-41-6;/h15-16,20-24,34H,7-14,17-19H2,1-6H3,(H,35,38);1H/t21-,22+,23+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18313 ((2R,4S,5S,7S)-5-amino-N-(2-acetamidoethyl)-4-hydro...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C27H47N3O6/c1-18(2)22(15-21-8-9-25(35-6)26(16-21)36-13-7-12-34-5)17-23(28)24(32)14-19(3)27(33)30-11-10-29-20(4)31/h8-9,16,18-19,22-24,32H,7,10-15,17,28H2,1-6H3,(H,29,31)(H,30,33)/t19-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50259465 ((1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CNC[C@@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,wU:19.27,wD:23.26,t:18,TLB:14:17:25:21.20.22,THB:26:18:25:21.20.22,(15.78,2.08,;16.56,.76,;18.11,.78,;18.88,-.55,;18.12,-1.88,;18.89,-3.22,;16.57,-1.88,;15.81,-3.22,;14.27,-3.23,;13.5,-4.56,;11.96,-4.57,;11.2,-5.91,;11.97,-7.24,;11.21,-8.58,;9.67,-8.58,;8.89,-7.25,;9.65,-5.92,;8.9,-9.91,;7.71,-9.34,;8.43,-10.84,;10.24,-11.17,;11.35,-10.55,;10.81,-12.02,;9.09,-11.68,;9.43,-10.43,;7.9,-12.31,;6.17,-9.28,;5.45,-7.92,;5.36,-10.59,;3.82,-10.53,;3,-11.83,;3.73,-13.18,;2.92,-14.49,;1.37,-14.44,;.65,-13.08,;-.89,-13.02,;1.47,-11.77,;.75,-10.41,;6.08,-11.95,;6.03,-13.48,;7.39,-12.76,;15.8,-.57,;14.26,-.57,)| Show InChI InChI=1S/C33H32Cl3F2N3O2/c34-25-5-1-4-21(30(25)35)18-41(23-10-11-23)33(42)29-24(15-22-16-39-17-28(29)40-22)20-8-6-19(7-9-20)3-2-14-43-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39-40H,2-3,10-11,14-18H2/t22-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50542738 (CHEMBL4637027) Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r| Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM18288 ((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O6/c1-19(2)22(16-21-9-10-25(34-6)26(17-21)35-14-8-13-33-5)18-23(28)24(30)15-20(3)27(31)29-11-7-12-32-4/h9-10,17,19-20,22-24,30H,7-8,11-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17949 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM18342 ((2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H55N3O6/c1-22(2)25(18-24-8-9-29(38-6)30(19-24)40-15-7-14-37-5)20-27(32)28(35)21-26(23(3)4)31(36)33-10-11-34-12-16-39-17-13-34/h8-9,19,22-23,25-28,35H,7,10-18,20-21,32H2,1-6H3,(H,33,36)/t25-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18337 ((2S,4S,5S,7S)-5-amino-N-[2,2-dimethyl-2-(methylcar...) Show SMILES CNC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C31H55N3O6/c1-20(2)23(15-22-11-12-27(39-9)28(16-22)40-14-10-13-38-8)17-25(32)26(35)18-24(21(3)4)29(36)34-19-31(5,6)30(37)33-7/h11-12,16,20-21,23-26,35H,10,13-15,17-19,32H2,1-9H3,(H,33,37)(H,34,36)/t23-,24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM98679 (US8497286, 155) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C |r| Show InChI InChI=1S/C27H44N4O4/c1-7-35-16-21(10-17(2)3)30-26(32)19-11-20(14-28-13-19)27(33)31(22-8-9-22)25-12-24(34-6)23(15-29-25)18(4)5/h12,15,17-22,28H,7-11,13-14,16H2,1-6H3,(H,30,32)/t19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054633 (CHEMBL3318941) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cn1)C(C)C |r| Show InChI InChI=1S/C30H50N4O5.ClH/c1-7-38-19-24(13-20(2)3)33-29(35)22-14-23(17-31-16-22)30(36)34(25-9-10-25)28-15-27(39-12-8-11-37-6)26(18-32-28)21(4)5;/h15,18,20-25,31H,7-14,16-17,19H2,1-6H3,(H,33,35);1H/t22-,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054637 (CHEMBL3318938) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)Nc2c(C)cccc2OC)c2ccccc12 |r| Show InChI InChI=1S/C31H40N4O4/c1-21-8-6-11-28(39-3)29(21)33-30(36)22-16-23(18-32-17-22)31(37)35(25-12-13-25)20-24-19-34(14-7-15-38-2)27-10-5-4-9-26(24)27/h4-6,8-11,19,22-23,25,32H,7,12-18,20H2,1-3H3,(H,33,36)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054636 (CHEMBL3318937) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@H](CCO)c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C32H42N4O4/c1-40-17-7-15-35-21-26(28-10-5-6-11-30(28)35)22-36(27-12-13-27)32(39)25-18-24(19-33-20-25)31(38)34-29(14-16-37)23-8-3-2-4-9-23/h2-6,8-11,21,24-25,27,29,33,37H,7,12-20,22H2,1H3,(H,34,38)/t24-,25+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50330351 (CHEMBL1276277 | N-(2-(7-(((R)-1-(4-(3-(2-methoxybe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COC1=CC2C(CCCN2CCNC(C)=O)C=C1 |r,c:46,t:31| Show InChI InChI=1S/C35H48N4O5/c1-27(40)37-17-19-38-18-5-8-28-10-13-33(23-34(28)38)44-26-31-24-36-16-20-39(31)30-11-14-32(15-12-30)43-22-6-21-42-25-29-7-3-4-9-35(29)41-2/h3-4,7,9-15,23,28,31,34,36H,5-6,8,16-22,24-26H2,1-2H3,(H,37,40)/t28?,31-,34?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17944 (Renin nonpeptide inhibitor, 4 | methyl N-[(3R)-1-[...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](Cc2ccccc12)NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C29H48N4O5/c1-7-8-13-31-27(36)22(19(2)3)15-25(34)23(30)16-29(4,5)17-26(35)33-18-21(32-28(37)38-6)14-20-11-9-10-12-24(20)33/h9-12,19,21-23,25,34H,7-8,13-18,30H2,1-6H3,(H,31,36)(H,32,37)/t21-,22+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...				Chem Biol 7: 493-504 (2000) Article DOI: 10.1016/S1074-5521(00)00134-4 BindingDB Entry DOI: 10.7270/Q2V40SGJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM17944 (Renin nonpeptide inhibitor, 4 | methyl N-[(3R)-1-[...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](Cc2ccccc12)NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C29H48N4O5/c1-7-8-13-31-27(36)22(19(2)3)15-25(34)23(30)16-29(4,5)17-26(35)33-18-21(32-28(37)38-6)14-20-11-9-10-12-24(20)33/h9-12,19,21-23,25,34H,7-8,13-18,30H2,1-6H3,(H,31,36)(H,32,37)/t21-,22+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of renin in plasma				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki International University Curated by ChEMBL					Assay Description Inhibition of purified recombinant human renin				Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki International University Curated by ChEMBL					Assay Description Inhibition of human plasma renin				Bioorg Med Chem Lett 19: 4863-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.128 BindingDB Entry DOI: 10.7270/Q2F18ZRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of renin in plasma				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM98684 (US8497286, 160) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1 |r| Show InChI InChI=1S/C27H44N4O4/c1-6-19-16-29-25(13-24(19)35-8-3)31(23-9-10-23)27(33)21-12-20(14-28-15-21)26(32)30-22(11-18(4)5)17-34-7-2/h13,16,18,20-23,28H,6-12,14-15,17H2,1-5H3,(H,30,32)/t20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2400 total )  |  Next  |  Last  >>

Jump to: