Found 47 hits of Enzyme Inhibition Constant Data 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)) | BDBM50022041
(CHEMBL56608 | {1-[1-{1-Cyclohexylmethyl-3-[1-(3-gu...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN=C(N)N)c1 |wU:22.30,32.42,4.4,(21.52,-3.28,;20.33,-4.24,;19.03,-3.4,;20.41,-5.77,;19.1,-6.61,;17.75,-5.93,;16.37,-5.23,;16.3,-3.69,;15.08,-6.06,;13.72,-5.39,;13.62,-3.82,;12.43,-6.22,;12.5,-7.75,;13.88,-8.45,;15.16,-7.6,;16.53,-8.3,;16.63,-9.84,;15.32,-10.67,;13.96,-9.97,;11.06,-5.52,;9.8,-6.35,;9.71,-7.89,;8.58,-5.42,;8.62,-3.91,;7.18,-3.37,;5.9,-4.23,;4.71,-3.24,;5.22,-1.84,;6.79,-1.9,;7.22,-6.29,;5.92,-7.11,;4.62,-6.57,;5.86,-8.66,;4.46,-9.38,;4.69,-10.9,;6.13,-11.51,;6.35,-13.04,;5.13,-14.03,;3.66,-13.43,;3.47,-11.88,;7.28,-9.23,;8.21,-10.45,;7.63,-11.88,;9.75,-10.26,;10.67,-11.47,;10.1,-12.9,;11.62,-12.69,;12.2,-11.27,;19.21,-8.14,;17.91,-9,;20.56,-8.85,;20.65,-10.37,;22.03,-11.06,;23.29,-10.25,;24.66,-10.93,;24.76,-12.47,;23.45,-13.3,;23.55,-14.86,;22.27,-15.67,;22.33,-17.23,;21.05,-18.06,;23.71,-17.91,;22.11,-12.62,)| Show InChI InChI=1S/C46H68N10O7/c1-29(2)19-36(41(59)50-25-32-17-12-18-33(20-32)26-51-44(47)48)53-40(58)24-39(57)35(21-30-13-8-6-9-14-30)54-43(61)38(23-34-27-49-28-52-34)55-42(60)37(22-31-15-10-7-11-16-31)56-45(62)63-46(3,4)5/h7,10-12,15-18,20,27-30,35-39,57H,6,8-9,13-14,19,21-26H2,1-5H3,(H,49,52)(H,50,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H4,47,48,51)/t35?,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
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022036
(CHEMBL298615 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C43H62N8O7/c1-28(2)20-34(39(54)46-25-31-16-18-44-19-17-31)48-38(53)24-37(52)33(21-29-12-8-6-9-13-29)49-41(56)36(23-32-26-45-27-47-32)50-40(55)35(22-30-14-10-7-11-15-30)51-42(57)58-43(3,4)5/h7,10-11,14-19,26-29,33-37,52H,6,8-9,12-13,20-25H2,1-5H3,(H,45,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)/t33?,34-,35-,36-,37?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022033
(CHEMBL418305 | {1-[1-{3-[1-(3-Aminomethyl-benzylca...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C45H66N8O7/c1-29(2)19-36(41(56)48-26-33-18-12-17-32(20-33)25-46)50-40(55)24-39(54)35(21-30-13-8-6-9-14-30)51-43(58)38(23-34-27-47-28-49-34)52-42(57)37(22-31-15-10-7-11-16-31)53-44(59)60-45(3,4)5/h7,10-12,15-18,20,27-30,35-39,54H,6,8-9,13-14,19,21-26,46H2,1-5H3,(H,47,49)(H,48,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t35?,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
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022036
(CHEMBL298615 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C43H62N8O7/c1-28(2)20-34(39(54)46-25-31-16-18-44-19-17-31)48-38(53)24-37(52)33(21-29-12-8-6-9-13-29)49-41(56)36(23-32-26-45-27-47-32)50-40(55)35(22-30-14-10-7-11-15-30)51-42(57)58-43(3,4)5/h7,10-11,14-19,26-29,33-37,52H,6,8-9,12-13,20-25H2,1-5H3,(H,45,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)/t33?,34-,35-,36-,37?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022042
(CHEMBL299892 | {3-[(2-{4-[2-(2-tert-Butoxycarbonyl...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C46H65N7O10/c1-29(2)19-36(42(58)48-25-32-17-12-18-34(20-32)62-27-41(56)57)50-40(55)24-39(54)35(21-30-13-8-6-9-14-30)51-44(60)38(23-33-26-47-28-49-33)52-43(59)37(22-31-15-10-7-11-16-31)53-45(61)63-46(3,4)5/h7,10-12,15-18,20,26,28-30,35-39,54H,6,8-9,13-14,19,21-25,27H2,1-5H3,(H,47,49)(H,48,58)(H,50,55)(H,51,60)(H,52,59)(H,53,61)(H,56,57)/t35?,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
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022042
(CHEMBL299892 | {3-[(2-{4-[2-(2-tert-Butoxycarbonyl...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C46H65N7O10/c1-29(2)19-36(42(58)48-25-32-17-12-18-34(20-32)62-27-41(56)57)50-40(55)24-39(54)35(21-30-13-8-6-9-14-30)51-44(60)38(23-33-26-47-28-49-33)52-43(59)37(22-31-15-10-7-11-16-31)53-45(61)63-46(3,4)5/h7,10-12,15-18,20,26,28-30,35-39,54H,6,8-9,13-14,19,21-25,27H2,1-5H3,(H,47,49)(H,48,58)(H,50,55)(H,51,60)(H,52,59)(H,53,61)(H,56,57)/t35?,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
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022041
(CHEMBL56608 | {1-[1-{1-Cyclohexylmethyl-3-[1-(3-gu...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN=C(N)N)c1 |wU:22.30,32.42,4.4,(21.52,-3.28,;20.33,-4.24,;19.03,-3.4,;20.41,-5.77,;19.1,-6.61,;17.75,-5.93,;16.37,-5.23,;16.3,-3.69,;15.08,-6.06,;13.72,-5.39,;13.62,-3.82,;12.43,-6.22,;12.5,-7.75,;13.88,-8.45,;15.16,-7.6,;16.53,-8.3,;16.63,-9.84,;15.32,-10.67,;13.96,-9.97,;11.06,-5.52,;9.8,-6.35,;9.71,-7.89,;8.58,-5.42,;8.62,-3.91,;7.18,-3.37,;5.9,-4.23,;4.71,-3.24,;5.22,-1.84,;6.79,-1.9,;7.22,-6.29,;5.92,-7.11,;4.62,-6.57,;5.86,-8.66,;4.46,-9.38,;4.69,-10.9,;6.13,-11.51,;6.35,-13.04,;5.13,-14.03,;3.66,-13.43,;3.47,-11.88,;7.28,-9.23,;8.21,-10.45,;7.63,-11.88,;9.75,-10.26,;10.67,-11.47,;10.1,-12.9,;11.62,-12.69,;12.2,-11.27,;19.21,-8.14,;17.91,-9,;20.56,-8.85,;20.65,-10.37,;22.03,-11.06,;23.29,-10.25,;24.66,-10.93,;24.76,-12.47,;23.45,-13.3,;23.55,-14.86,;22.27,-15.67,;22.33,-17.23,;21.05,-18.06,;23.71,-17.91,;22.11,-12.62,)| Show InChI InChI=1S/C46H68N10O7/c1-29(2)19-36(41(59)50-25-32-17-12-18-33(20-32)26-51-44(47)48)53-40(58)24-39(57)35(21-30-13-8-6-9-14-30)54-43(61)38(23-34-27-49-28-52-34)55-42(60)37(22-31-15-10-7-11-16-31)56-45(62)63-46(3,4)5/h7,10-12,15-18,20,27-30,35-39,57H,6,8-9,13-14,19,21-26H2,1-5H3,(H,49,52)(H,50,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H4,47,48,51)/t35?,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
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022033
(CHEMBL418305 | {1-[1-{3-[1-(3-Aminomethyl-benzylca...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C45H66N8O7/c1-29(2)19-36(41(56)48-26-33-18-12-17-32(20-33)25-46)50-40(55)24-39(54)35(21-30-13-8-6-9-14-30)51-43(58)38(23-34-27-47-28-49-34)52-42(57)37(22-31-15-10-7-11-16-31)53-44(59)60-45(3,4)5/h7,10-12,15-18,20,27-30,35-39,54H,6,8-9,13-14,19,21-26,46H2,1-5H3,(H,47,49)(H,48,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t35?,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
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022036
(CHEMBL298615 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C43H62N8O7/c1-28(2)20-34(39(54)46-25-31-16-18-44-19-17-31)48-38(53)24-37(52)33(21-29-12-8-6-9-13-29)49-41(56)36(23-32-26-45-27-47-32)50-40(55)35(22-30-14-10-7-11-15-30)51-42(57)58-43(3,4)5/h7,10-11,14-19,26-29,33-37,52H,6,8-9,12-13,20-25H2,1-5H3,(H,45,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)/t33?,34-,35-,36-,37?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022034
(CHEMBL293094 | {3-[(2-{4-[2-(2-tert-Butoxycarbonyl...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C43H61N7O10/c1-26(2)16-32(36(51)21-37(52)47-33(17-27(3)4)39(55)45-22-29-14-11-15-31(18-29)59-24-38(53)54)48-41(57)35(20-30-23-44-25-46-30)49-40(56)34(19-28-12-9-8-10-13-28)50-42(58)60-43(5,6)7/h8-15,18,23,25-27,32-36,51H,16-17,19-22,24H2,1-7H3,(H,44,46)(H,45,55)(H,47,52)(H,48,57)(H,49,56)(H,50,58)(H,53,54)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022033
(CHEMBL418305 | {1-[1-{3-[1-(3-Aminomethyl-benzylca...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C45H66N8O7/c1-29(2)19-36(41(56)48-26-33-18-12-17-32(20-33)25-46)50-40(55)24-39(54)35(21-30-13-8-6-9-14-30)51-43(58)38(23-34-27-47-28-49-34)52-42(57)37(22-31-15-10-7-11-16-31)53-44(59)60-45(3,4)5/h7,10-12,15-18,20,27-30,35-39,54H,6,8-9,13-14,19,21-26,46H2,1-5H3,(H,47,49)(H,48,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)/t35?,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
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022044
(CHEMBL294160 | {1-[1-(1-{2-[1-(3-Aminomethyl-benzy...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C42H62N8O7/c1-26(2)16-32(36(51)21-37(52)47-33(17-27(3)4)38(53)45-23-30-15-11-14-29(18-30)22-43)48-40(55)35(20-31-24-44-25-46-31)49-39(54)34(19-28-12-9-8-10-13-28)50-41(56)57-42(5,6)7/h8-15,18,24-27,32-36,51H,16-17,19-23,43H2,1-7H3,(H,44,46)(H,45,53)(H,47,52)(H,48,55)(H,49,54)(H,50,56)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022041
(CHEMBL56608 | {1-[1-{1-Cyclohexylmethyl-3-[1-(3-gu...)Show SMILES CC(C)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN=C(N)N)c1 |wU:22.30,32.42,4.4,(21.52,-3.28,;20.33,-4.24,;19.03,-3.4,;20.41,-5.77,;19.1,-6.61,;17.75,-5.93,;16.37,-5.23,;16.3,-3.69,;15.08,-6.06,;13.72,-5.39,;13.62,-3.82,;12.43,-6.22,;12.5,-7.75,;13.88,-8.45,;15.16,-7.6,;16.53,-8.3,;16.63,-9.84,;15.32,-10.67,;13.96,-9.97,;11.06,-5.52,;9.8,-6.35,;9.71,-7.89,;8.58,-5.42,;8.62,-3.91,;7.18,-3.37,;5.9,-4.23,;4.71,-3.24,;5.22,-1.84,;6.79,-1.9,;7.22,-6.29,;5.92,-7.11,;4.62,-6.57,;5.86,-8.66,;4.46,-9.38,;4.69,-10.9,;6.13,-11.51,;6.35,-13.04,;5.13,-14.03,;3.66,-13.43,;3.47,-11.88,;7.28,-9.23,;8.21,-10.45,;7.63,-11.88,;9.75,-10.26,;10.67,-11.47,;10.1,-12.9,;11.62,-12.69,;12.2,-11.27,;19.21,-8.14,;17.91,-9,;20.56,-8.85,;20.65,-10.37,;22.03,-11.06,;23.29,-10.25,;24.66,-10.93,;24.76,-12.47,;23.45,-13.3,;23.55,-14.86,;22.27,-15.67,;22.33,-17.23,;21.05,-18.06,;23.71,-17.91,;22.11,-12.62,)| Show InChI InChI=1S/C46H68N10O7/c1-29(2)19-36(41(59)50-25-32-17-12-18-33(20-32)26-51-44(47)48)53-40(58)24-39(57)35(21-30-13-8-6-9-14-30)54-43(61)38(23-34-27-49-28-52-34)55-42(60)37(22-31-15-10-7-11-16-31)56-45(62)63-46(3,4)5/h7,10-12,15-18,20,27-30,35-39,57H,6,8-9,13-14,19,21-26H2,1-5H3,(H,49,52)(H,50,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H4,47,48,51)/t35?,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
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022030
(CHEMBL291900 | {1-[1-(1-{2-[1-(3-Guanidinomethyl-b...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(CN=C(N)N)c1 |wU:8.15,18.27,40.41,(13.92,-9.93,;13.9,-8.41,;15.24,-7.63,;12.57,-7.63,;12.55,-6.11,;11.21,-5.35,;9.93,-6.12,;9.79,-7.66,;8.74,-5.15,;8.87,-3.63,;7.47,-3.02,;6.14,-3.82,;4.99,-2.79,;5.57,-1.41,;7.11,-1.54,;7.34,-5.95,;6.03,-6.7,;4.75,-6.09,;5.89,-8.23,;4.46,-8.9,;4.61,-10.44,;6.03,-11.1,;6.19,-12.64,;4.91,-13.57,;3.49,-12.9,;3.36,-11.34,;7.29,-8.89,;8.16,-10.15,;7.5,-11.53,;9.69,-10.02,;10.56,-11.27,;9.92,-12.68,;11.45,-12.52,;12.1,-11.14,;13.89,-5.34,;13.86,-3.79,;15.21,-6.09,;16.55,-5.31,;16.54,-3.78,;17.88,-6.08,;19.21,-6.81,;20.55,-6.03,;20.54,-4.51,;21.77,-3.59,;19.27,-3.62,;19.24,-8.36,;17.89,-9.13,;20.55,-9.12,;20.58,-10.63,;21.92,-11.4,;23.21,-10.63,;24.55,-11.37,;24.58,-12.93,;23.24,-13.7,;23.26,-15.24,;21.93,-16.01,;21.93,-17.56,;20.61,-18.33,;23.27,-18.31,;21.93,-12.94,)| Show InChI InChI=1S/C43H64N10O7/c1-26(2)16-32(36(54)21-37(55)50-33(17-27(3)4)38(56)47-22-29-14-11-15-30(18-29)23-48-41(44)45)51-40(58)35(20-31-24-46-25-49-31)52-39(57)34(19-28-12-9-8-10-13-28)53-42(59)60-43(5,6)7/h8-15,18,24-27,32-36,54H,16-17,19-23H2,1-7H3,(H,46,49)(H,47,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)(H4,44,45,48)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022034
(CHEMBL293094 | {3-[(2-{4-[2-(2-tert-Butoxycarbonyl...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C43H61N7O10/c1-26(2)16-32(36(51)21-37(52)47-33(17-27(3)4)39(55)45-22-29-14-11-15-31(18-29)59-24-38(53)54)48-41(57)35(20-30-23-44-25-46-30)49-40(56)34(19-28-12-9-8-10-13-28)50-42(58)60-43(5,6)7/h8-15,18,23,25-27,32-36,51H,16-17,19-22,24H2,1-7H3,(H,44,46)(H,45,55)(H,47,52)(H,48,57)(H,49,56)(H,50,58)(H,53,54)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50016033
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022039
(CHEMBL293351 | {1-[1-[1-(1-Hydroxy-2-{3-methyl-1-[...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C40H58N8O7/c1-25(2)17-30(34(49)21-35(50)45-31(18-26(3)4)36(51)43-22-28-13-15-41-16-14-28)46-38(53)33(20-29-23-42-24-44-29)47-37(52)32(19-27-11-9-8-10-12-27)48-39(54)55-40(5,6)7/h8-16,23-26,30-34,49H,17-22H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t30?,31-,32-,33-,34?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022030
(CHEMBL291900 | {1-[1-(1-{2-[1-(3-Guanidinomethyl-b...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(CN=C(N)N)c1 |wU:8.15,18.27,40.41,(13.92,-9.93,;13.9,-8.41,;15.24,-7.63,;12.57,-7.63,;12.55,-6.11,;11.21,-5.35,;9.93,-6.12,;9.79,-7.66,;8.74,-5.15,;8.87,-3.63,;7.47,-3.02,;6.14,-3.82,;4.99,-2.79,;5.57,-1.41,;7.11,-1.54,;7.34,-5.95,;6.03,-6.7,;4.75,-6.09,;5.89,-8.23,;4.46,-8.9,;4.61,-10.44,;6.03,-11.1,;6.19,-12.64,;4.91,-13.57,;3.49,-12.9,;3.36,-11.34,;7.29,-8.89,;8.16,-10.15,;7.5,-11.53,;9.69,-10.02,;10.56,-11.27,;9.92,-12.68,;11.45,-12.52,;12.1,-11.14,;13.89,-5.34,;13.86,-3.79,;15.21,-6.09,;16.55,-5.31,;16.54,-3.78,;17.88,-6.08,;19.21,-6.81,;20.55,-6.03,;20.54,-4.51,;21.77,-3.59,;19.27,-3.62,;19.24,-8.36,;17.89,-9.13,;20.55,-9.12,;20.58,-10.63,;21.92,-11.4,;23.21,-10.63,;24.55,-11.37,;24.58,-12.93,;23.24,-13.7,;23.26,-15.24,;21.93,-16.01,;21.93,-17.56,;20.61,-18.33,;23.27,-18.31,;21.93,-12.94,)| Show InChI InChI=1S/C43H64N10O7/c1-26(2)16-32(36(54)21-37(55)50-33(17-27(3)4)38(56)47-22-29-14-11-15-30(18-29)23-48-41(44)45)51-40(58)35(20-31-24-46-25-49-31)52-39(57)34(19-28-12-9-8-10-13-28)53-42(59)60-43(5,6)7/h8-15,18,24-27,32-36,54H,16-17,19-23H2,1-7H3,(H,46,49)(H,47,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)(H4,44,45,48)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50016033
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50016033
(CHEMBL3085574 | {1-[1-{1-[2-(1-Benzylcarbamoyl-3-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C41H59N7O7/c1-26(2)18-31(35(49)22-36(50)45-32(19-27(3)4)37(51)43-23-29-16-12-9-13-17-29)46-39(53)34(21-30-24-42-25-44-30)47-38(52)33(20-28-14-10-8-11-15-28)48-40(54)55-41(5,6)7/h8-17,24-27,31-35,49H,18-23H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t31-,32-,33-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022034
(CHEMBL293094 | {3-[(2-{4-[2-(2-tert-Butoxycarbonyl...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C43H61N7O10/c1-26(2)16-32(36(51)21-37(52)47-33(17-27(3)4)39(55)45-22-29-14-11-15-31(18-29)59-24-38(53)54)48-41(57)35(20-30-23-44-25-46-30)49-40(56)34(19-28-12-9-8-10-13-28)50-42(58)60-43(5,6)7/h8-15,18,23,25-27,32-36,51H,16-17,19-22,24H2,1-7H3,(H,44,46)(H,45,55)(H,47,52)(H,48,57)(H,49,56)(H,50,58)(H,53,54)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022030
(CHEMBL291900 | {1-[1-(1-{2-[1-(3-Guanidinomethyl-b...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(CN=C(N)N)c1 |wU:8.15,18.27,40.41,(13.92,-9.93,;13.9,-8.41,;15.24,-7.63,;12.57,-7.63,;12.55,-6.11,;11.21,-5.35,;9.93,-6.12,;9.79,-7.66,;8.74,-5.15,;8.87,-3.63,;7.47,-3.02,;6.14,-3.82,;4.99,-2.79,;5.57,-1.41,;7.11,-1.54,;7.34,-5.95,;6.03,-6.7,;4.75,-6.09,;5.89,-8.23,;4.46,-8.9,;4.61,-10.44,;6.03,-11.1,;6.19,-12.64,;4.91,-13.57,;3.49,-12.9,;3.36,-11.34,;7.29,-8.89,;8.16,-10.15,;7.5,-11.53,;9.69,-10.02,;10.56,-11.27,;9.92,-12.68,;11.45,-12.52,;12.1,-11.14,;13.89,-5.34,;13.86,-3.79,;15.21,-6.09,;16.55,-5.31,;16.54,-3.78,;17.88,-6.08,;19.21,-6.81,;20.55,-6.03,;20.54,-4.51,;21.77,-3.59,;19.27,-3.62,;19.24,-8.36,;17.89,-9.13,;20.55,-9.12,;20.58,-10.63,;21.92,-11.4,;23.21,-10.63,;24.55,-11.37,;24.58,-12.93,;23.24,-13.7,;23.26,-15.24,;21.93,-16.01,;21.93,-17.56,;20.61,-18.33,;23.27,-18.31,;21.93,-12.94,)| Show InChI InChI=1S/C43H64N10O7/c1-26(2)16-32(36(54)21-37(55)50-33(17-27(3)4)38(56)47-22-29-14-11-15-30(18-29)23-48-41(44)45)51-40(58)35(20-31-24-46-25-49-31)52-39(57)34(19-28-12-9-8-10-13-28)53-42(59)60-43(5,6)7/h8-15,18,24-27,32-36,54H,16-17,19-23H2,1-7H3,(H,46,49)(H,47,56)(H,50,55)(H,51,58)(H,52,57)(H,53,59)(H4,44,45,48)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022032
(CHEMBL57352 | {1-[1-[1-(1-Hydroxy-2-{3-methyl-1-[(...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H58N8O7/c1-25(2)17-30(34(49)21-35(50)45-31(18-26(3)4)36(51)43-23-28-15-11-12-16-42-28)46-38(53)33(20-29-22-41-24-44-29)47-37(52)32(19-27-13-9-8-10-14-27)48-39(54)55-40(5,6)7/h8-16,22,24-26,30-34,49H,17-21,23H2,1-7H3,(H,41,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t30?,31-,32-,33-,34?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022039
(CHEMBL293351 | {1-[1-[1-(1-Hydroxy-2-{3-methyl-1-[...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C40H58N8O7/c1-25(2)17-30(34(49)21-35(50)45-31(18-26(3)4)36(51)43-22-28-13-15-41-16-14-28)46-38(53)33(20-29-23-42-24-44-29)47-37(52)32(19-27-11-9-8-10-12-27)48-39(54)55-40(5,6)7/h8-16,23-26,30-34,49H,17-22H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t30?,31-,32-,33-,34?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022044
(CHEMBL294160 | {1-[1-(1-{2-[1-(3-Aminomethyl-benzy...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C42H62N8O7/c1-26(2)16-32(36(51)21-37(52)47-33(17-27(3)4)38(53)45-23-30-15-11-14-29(18-30)22-43)48-40(55)35(20-31-24-44-25-46-31)49-39(54)34(19-28-12-9-8-10-13-28)50-41(56)57-42(5,6)7/h8-15,18,24-27,32-36,51H,16-17,19-23,43H2,1-7H3,(H,44,46)(H,45,53)(H,47,52)(H,48,55)(H,49,54)(H,50,56)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022040
(CHEMBL3085571 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phen...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C43H62N8O8/c1-26(2)18-31(36(52)23-37(53)47-33(19-27(3)4)39(55)49-32(38(44)54)20-28-14-10-8-11-15-28)48-41(57)35(22-30-24-45-25-46-30)50-40(56)34(21-29-16-12-9-13-17-29)51-42(58)59-43(5,6)7/h8-17,24-27,31-36,52H,18-23H2,1-7H3,(H2,44,54)(H,45,46)(H,47,53)(H,48,57)(H,49,55)(H,50,56)(H,51,58)/t31-,32-,33-,34-,35-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022040
(CHEMBL3085571 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phen...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C43H62N8O8/c1-26(2)18-31(36(52)23-37(53)47-33(19-27(3)4)39(55)49-32(38(44)54)20-28-14-10-8-11-15-28)48-41(57)35(22-30-24-45-25-46-30)50-40(56)34(21-29-16-12-9-13-17-29)51-42(58)59-43(5,6)7/h8-17,24-27,31-36,52H,18-23H2,1-7H3,(H2,44,54)(H,45,46)(H,47,53)(H,48,57)(H,49,55)(H,50,56)(H,51,58)/t31-,32-,33-,34-,35-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022047
(CHEMBL293093 | {1-[1-(1-{2-[1-(2-Guanidino-ethylca...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCN=C(N)N |wU:8.15,18.27,40.41,(14.01,-9.97,;14,-8.46,;15.32,-7.67,;12.66,-7.69,;12.65,-6.16,;11.31,-5.41,;10,-6.16,;9.88,-7.72,;8.82,-5.2,;8.95,-3.68,;7.54,-3.09,;6.21,-3.88,;5.06,-2.86,;5.62,-1.47,;7.19,-1.58,;7.43,-6,;6.1,-6.76,;4.82,-6.16,;5.97,-8.31,;4.55,-8.98,;4.69,-10.52,;6.13,-11.16,;6.26,-12.69,;5.01,-13.62,;3.57,-12.98,;3.44,-11.41,;7.38,-8.95,;8.24,-10.22,;7.6,-11.61,;9.78,-10.07,;10.64,-11.34,;12.18,-11.19,;10.02,-12.73,;11.54,-12.59,;13.98,-5.39,;13.94,-3.82,;15.29,-6.13,;16.63,-5.35,;16.62,-3.81,;17.97,-6.1,;19.29,-6.85,;20.64,-6.06,;20.63,-4.53,;21.85,-3.62,;19.36,-3.65,;19.32,-8.39,;18,-9.17,;20.64,-9.14,;20.67,-10.68,;22.01,-11.44,;23.33,-10.64,;24.69,-11.38,;25.99,-10.61,;24.69,-12.95,)| Show InChI InChI=1S/C37H60N10O7/c1-22(2)15-26(30(48)19-31(49)44-27(16-23(3)4)32(50)41-13-14-42-35(38)39)45-34(52)29(18-25-20-40-21-43-25)46-33(51)28(17-24-11-9-8-10-12-24)47-36(53)54-37(5,6)7/h8-12,20-23,26-30,48H,13-19H2,1-7H3,(H,40,43)(H,41,50)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,38,39,42)/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
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022031
(2-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-pr...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCS(O)(=O)=O Show InChI InChI=1S/C36H57N7O10S/c1-22(2)15-26(30(44)19-31(45)40-27(16-23(3)4)32(46)38-13-14-54(50,51)52)41-34(48)29(18-25-20-37-21-39-25)42-33(47)28(17-24-11-9-8-10-12-24)43-35(49)53-36(5,6)7/h8-12,20-23,26-30,44H,13-19H2,1-7H3,(H,37,39)(H,38,46)(H,40,45)(H,41,48)(H,42,47)(H,43,49)(H,50,51,52)/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
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022032
(CHEMBL57352 | {1-[1-[1-(1-Hydroxy-2-{3-methyl-1-[(...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H58N8O7/c1-25(2)17-30(34(49)21-35(50)45-31(18-26(3)4)36(51)43-23-28-15-11-12-16-42-28)46-38(53)33(20-29-22-41-24-44-29)47-37(52)32(19-27-13-9-8-10-14-27)48-39(54)55-40(5,6)7/h8-16,22,24-26,30-34,49H,17-21,23H2,1-7H3,(H,41,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t30?,31-,32-,33-,34?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022038
(CHEMBL57268 | {1-[1-(1-{2-[1-(2-Amino-2-pyridin-2-...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)c1ccccn1 Show InChI InChI=1S/C41H61N9O7/c1-25(2)17-31(35(51)21-36(52)47-32(18-26(3)4)37(53)45-23-29(42)30-15-11-12-16-44-30)48-39(55)34(20-28-22-43-24-46-28)49-38(54)33(19-27-13-9-8-10-14-27)50-40(56)57-41(5,6)7/h8-16,22,24-26,29,31-35,51H,17-21,23,42H2,1-7H3,(H,43,46)(H,45,53)(H,47,52)(H,48,55)(H,49,54)(H,50,56)/t29?,31?,32-,33-,34-,35?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022044
(CHEMBL294160 | {1-[1-(1-{2-[1-(3-Aminomethyl-benzy...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(CN)c1 Show InChI InChI=1S/C42H62N8O7/c1-26(2)16-32(36(51)21-37(52)47-33(17-27(3)4)38(53)45-23-30-15-11-14-29(18-30)22-43)48-40(55)35(20-31-24-44-25-46-31)49-39(54)34(19-28-12-9-8-10-13-28)50-41(56)57-42(5,6)7/h8-15,18,24-27,32-36,51H,16-17,19-23,43H2,1-7H3,(H,44,46)(H,45,53)(H,47,52)(H,48,55)(H,49,54)(H,50,56)/t32?,33-,34-,35-,36?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022045
(CHEMBL56703 | {1-[1-[1-(1-Hydroxy-2-{3-methyl-1-[(...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc[n+]([O-])cc1 Show InChI InChI=1S/C40H58N8O8/c1-25(2)17-30(34(49)21-35(50)44-31(18-26(3)4)36(51)42-22-28-13-15-48(55)16-14-28)45-38(53)33(20-29-23-41-24-43-29)46-37(52)32(19-27-11-9-8-10-12-27)47-39(54)56-40(5,6)7/h8-16,23-26,30-34,49H,17-22H2,1-7H3,(H,41,43)(H,42,51)(H,44,50)(H,45,53)(H,46,52)(H,47,54)/t30?,31-,32-,33-,34?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022045
(CHEMBL56703 | {1-[1-[1-(1-Hydroxy-2-{3-methyl-1-[(...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc[n+]([O-])cc1 Show InChI InChI=1S/C40H58N8O8/c1-25(2)17-30(34(49)21-35(50)44-31(18-26(3)4)36(51)42-22-28-13-15-48(55)16-14-28)45-38(53)33(20-29-23-41-24-43-29)46-37(52)32(19-27-11-9-8-10-12-27)47-39(54)56-40(5,6)7/h8-16,23-26,30-34,49H,17-22H2,1-7H3,(H,41,43)(H,42,51)(H,44,50)(H,45,53)(H,46,52)(H,47,54)/t30?,31-,32-,33-,34?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022037
(CHEMBL57627 | {1-[1-(1-{2-[1-(4-Benzyl-piperazine-...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C45H66N8O7/c1-30(2)22-35(39(54)26-40(55)48-38(23-31(3)4)43(58)53-20-18-52(19-21-53)28-33-16-12-9-13-17-33)49-42(57)37(25-34-27-46-29-47-34)50-41(56)36(24-32-14-10-8-11-15-32)51-44(59)60-45(5,6)7/h8-17,27,29-31,35-39,54H,18-26,28H2,1-7H3,(H,46,47)(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t35?,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
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022035
(CHEMBL58270 | {1-[1-(1-{2-[1-(2-Amino-ethylcarbamo...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCN Show InChI InChI=1S/C36H58N8O7/c1-22(2)15-26(30(45)19-31(46)41-27(16-23(3)4)32(47)39-14-13-37)42-34(49)29(18-25-20-38-21-40-25)43-33(48)28(17-24-11-9-8-10-12-24)44-35(50)51-36(5,6)7/h8-12,20-23,26-30,45H,13-19,37H2,1-7H3,(H,38,40)(H,39,47)(H,41,46)(H,42,49)(H,43,48)(H,44,50)/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
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022046
(CHEMBL57455 | {1-[1-{1-[2-(1-{3-[Bis-(2-hydroxy-et...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCCN(CCO)CCO Show InChI InChI=1S/C41H68N8O9/c1-27(2)20-31(35(52)24-36(53)45-32(21-28(3)4)37(54)43-14-11-15-49(16-18-50)17-19-51)46-39(56)34(23-30-25-42-26-44-30)47-38(55)33(22-29-12-9-8-10-13-29)48-40(57)58-41(5,6)7/h8-10,12-13,25-28,31-35,50-52H,11,14-24H2,1-7H3,(H,42,44)(H,43,54)(H,45,53)(H,46,56)(H,47,55)(H,48,57)/t31?,32-,33-,34-,35?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022039
(CHEMBL293351 | {1-[1-[1-(1-Hydroxy-2-{3-methyl-1-[...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccncc1 Show InChI InChI=1S/C40H58N8O7/c1-25(2)17-30(34(49)21-35(50)45-31(18-26(3)4)36(51)43-22-28-13-15-41-16-14-28)46-38(53)33(20-29-23-42-24-44-29)47-37(52)32(19-27-11-9-8-10-12-27)48-39(54)55-40(5,6)7/h8-16,23-26,30-34,49H,17-22H2,1-7H3,(H,42,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t30?,31-,32-,33-,34?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022032
(CHEMBL57352 | {1-[1-[1-(1-Hydroxy-2-{3-methyl-1-[(...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C40H58N8O7/c1-25(2)17-30(34(49)21-35(50)45-31(18-26(3)4)36(51)43-23-28-15-11-12-16-42-28)46-38(53)33(20-29-22-41-24-44-29)47-37(52)32(19-27-13-9-8-10-14-27)48-39(54)55-40(5,6)7/h8-16,22,24-26,30-34,49H,17-21,23H2,1-7H3,(H,41,44)(H,43,51)(H,45,50)(H,46,53)(H,47,52)(H,48,54)/t30?,31-,32-,33-,34?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022037
(CHEMBL57627 | {1-[1-(1-{2-[1-(4-Benzyl-piperazine-...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C45H66N8O7/c1-30(2)22-35(39(54)26-40(55)48-38(23-31(3)4)43(58)53-20-18-52(19-21-53)28-33-16-12-9-13-17-33)49-42(57)37(25-34-27-46-29-47-34)50-41(56)36(24-32-14-10-8-11-15-32)51-44(59)60-45(5,6)7/h8-17,27,29-31,35-39,54H,18-26,28H2,1-7H3,(H,46,47)(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t35?,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
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022040
(CHEMBL3085571 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phen...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C43H62N8O8/c1-26(2)18-31(36(52)23-37(53)47-33(19-27(3)4)39(55)49-32(38(44)54)20-28-14-10-8-11-15-28)48-41(57)35(22-30-24-45-25-46-30)50-40(56)34(21-29-16-12-9-13-17-29)51-42(58)59-43(5,6)7/h8-17,24-27,31-36,52H,18-23H2,1-7H3,(H2,44,54)(H,45,46)(H,47,53)(H,48,57)(H,49,55)(H,50,56)(H,51,58)/t31-,32-,33-,34-,35-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022037
(CHEMBL57627 | {1-[1-(1-{2-[1-(4-Benzyl-piperazine-...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C45H66N8O7/c1-30(2)22-35(39(54)26-40(55)48-38(23-31(3)4)43(58)53-20-18-52(19-21-53)28-33-16-12-9-13-17-33)49-42(57)37(25-34-27-46-29-47-34)50-41(56)36(24-32-14-10-8-11-15-32)51-44(59)60-45(5,6)7/h8-17,27,29-31,35-39,54H,18-26,28H2,1-7H3,(H,46,47)(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t35?,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
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022031
(2-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-pr...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCS(O)(=O)=O Show InChI InChI=1S/C36H57N7O10S/c1-22(2)15-26(30(44)19-31(45)40-27(16-23(3)4)32(46)38-13-14-54(50,51)52)41-34(48)29(18-25-20-37-21-39-25)42-33(47)28(17-24-11-9-8-10-12-24)43-35(49)53-36(5,6)7/h8-12,20-23,26-30,44H,13-19H2,1-7H3,(H,37,39)(H,38,46)(H,40,45)(H,41,48)(H,42,47)(H,43,49)(H,50,51,52)/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
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022047
(CHEMBL293093 | {1-[1-(1-{2-[1-(2-Guanidino-ethylca...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCCN=C(N)N |wU:8.15,18.27,40.41,(14.01,-9.97,;14,-8.46,;15.32,-7.67,;12.66,-7.69,;12.65,-6.16,;11.31,-5.41,;10,-6.16,;9.88,-7.72,;8.82,-5.2,;8.95,-3.68,;7.54,-3.09,;6.21,-3.88,;5.06,-2.86,;5.62,-1.47,;7.19,-1.58,;7.43,-6,;6.1,-6.76,;4.82,-6.16,;5.97,-8.31,;4.55,-8.98,;4.69,-10.52,;6.13,-11.16,;6.26,-12.69,;5.01,-13.62,;3.57,-12.98,;3.44,-11.41,;7.38,-8.95,;8.24,-10.22,;7.6,-11.61,;9.78,-10.07,;10.64,-11.34,;12.18,-11.19,;10.02,-12.73,;11.54,-12.59,;13.98,-5.39,;13.94,-3.82,;15.29,-6.13,;16.63,-5.35,;16.62,-3.81,;17.97,-6.1,;19.29,-6.85,;20.64,-6.06,;20.63,-4.53,;21.85,-3.62,;19.36,-3.65,;19.32,-8.39,;18,-9.17,;20.64,-9.14,;20.67,-10.68,;22.01,-11.44,;23.33,-10.64,;24.69,-11.38,;25.99,-10.61,;24.69,-12.95,)| Show InChI InChI=1S/C37H60N10O7/c1-22(2)15-26(30(48)19-31(49)44-27(16-23(3)4)32(50)41-13-14-42-35(38)39)45-34(52)29(18-25-20-40-21-43-25)46-33(51)28(17-24-11-9-8-10-12-24)47-36(53)54-37(5,6)7/h8-12,20-23,26-30,48H,13-19H2,1-7H3,(H,40,43)(H,41,50)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,38,39,42)/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
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022048
(3-(3-Aminomethyl-phenyl)-2-(2-{4-[2-(2-tert-butoxy...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1cccc(CN)c1)C(O)=O Show InChI InChI=1S/C44H64N8O9/c1-26(2)16-32(37(53)22-38(54)48-33(17-27(3)4)39(55)51-36(42(58)59)20-29-14-11-15-30(18-29)23-45)49-41(57)35(21-31-24-46-25-47-31)50-40(56)34(19-28-12-9-8-10-13-28)52-43(60)61-44(5,6)7/h8-15,18,24-27,32-37,53H,16-17,19-23,45H2,1-7H3,(H,46,47)(H,48,54)(H,49,57)(H,50,56)(H,51,55)(H,52,60)(H,58,59)/t32?,33-,34-,35-,36?,37?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of human plasma renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022038
(CHEMBL57268 | {1-[1-(1-{2-[1-(2-Amino-2-pyridin-2-...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)c1ccccn1 Show InChI InChI=1S/C41H61N9O7/c1-25(2)17-31(35(51)21-36(52)47-32(18-26(3)4)37(53)45-23-29(42)30-15-11-12-16-44-30)48-39(55)34(20-28-22-43-24-46-28)49-38(54)33(19-27-13-9-8-10-14-27)50-40(56)57-41(5,6)7/h8-16,22,24-26,29,31-35,51H,17-21,23,42H2,1-7H3,(H,43,46)(H,45,53)(H,47,52)(H,48,55)(H,49,54)(H,50,56)/t29?,31?,32-,33-,34-,35?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022038
(CHEMBL57268 | {1-[1-(1-{2-[1-(2-Amino-2-pyridin-2-...)Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)c1ccccn1 Show InChI InChI=1S/C41H61N9O7/c1-25(2)17-31(35(51)21-36(52)47-32(18-26(3)4)37(53)45-23-29(42)30-15-11-12-16-44-30)48-39(55)34(20-28-22-43-24-46-28)49-38(54)33(19-27-13-9-8-10-14-27)50-40(56)57-41(5,6)7/h8-16,22,24-26,29,31-35,51H,17-21,23,42H2,1-7H3,(H,43,46)(H,45,53)(H,47,52)(H,48,55)(H,49,54)(H,50,56)/t29?,31?,32-,33-,34-,35?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
J Med Chem 31: 1918-23 (1988)
BindingDB Entry DOI: 10.7270/Q24Q7T14 |
More data for this
Ligand-Target Pair | |
Search and Browse
