Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50001106 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)) | BDBM50010904
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C40H56N8O3/c1-5-7-20-43-39(50)31(27(3)4)23-36(49)34(22-28-14-9-8-10-15-28)45-40(51)32(21-29-16-11-18-41-24-29)37-46-47-38-33(13-6-2)44-35(26-48(37)38)30-17-12-19-42-25-30/h11-12,16-19,24-28,31-32,34,36,49H,5-10,13-15,20-23H2,1-4H3,(H,43,50)(H,45,51) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012938
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCCCO)-c1cccnc1 Show InChI InChI=1S/C40H56N8O4/c1-4-12-33-38-47-46-37(48(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-6-5-7-14-28)36(50)23-31(27(2)3)39(51)43-19-8-9-20-49/h10-11,15-18,24-28,31-32,34,36,49-50H,4-9,12-14,19-23H2,1-3H3,(H,43,51)(H,45,52) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012937
(CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1 Show InChI InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012937
(CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1 Show InChI InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012946
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C42H59N9O4/c1-4-10-35-40-49-48-39(51(40)28-37(46-35)32-14-9-16-44-27-32)34(23-31-13-8-15-43-26-31)42(54)47-36(24-30-11-6-5-7-12-30)38(52)25-33(29(2)3)41(53)45-17-18-50-19-21-55-22-20-50/h8-9,13-16,26-30,33-34,36,38,52H,4-7,10-12,17-25H2,1-3H3,(H,45,53)(H,47,54) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012939
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCc1ccccn1)-c1cccnc1 Show InChI InChI=1S/C42H53N9O3/c1-4-12-35-40-50-49-39(51(40)27-37(47-35)31-16-11-19-44-25-31)34(21-30-15-10-18-43-24-30)42(54)48-36(22-29-13-6-5-7-14-29)38(52)23-33(28(2)3)41(53)46-26-32-17-8-9-20-45-32/h8-11,15-20,24-25,27-29,33-34,36,38,52H,4-7,12-14,21-23,26H2,1-3H3,(H,46,53)(H,48,54) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012944
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCNCC1)-c1cccnc1 Show InChI InChI=1S/C42H60N10O3/c1-4-10-35-40-50-49-39(52(40)28-37(47-35)32-14-9-16-45-27-32)34(23-31-13-8-15-44-26-31)42(55)48-36(24-30-11-6-5-7-12-30)38(53)25-33(29(2)3)41(54)46-19-22-51-20-17-43-18-21-51/h8-9,13-16,26-30,33-34,36,38,43,53H,4-7,10-12,17-25H2,1-3H3,(H,46,54)(H,48,55) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012943
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C34H51N7O3/c1-5-7-17-36-34(44)26(23(3)4)19-30(42)28(18-24-13-9-8-10-14-24)38-32(43)20-31-39-40-33-27(12-6-2)37-29(22-41(31)33)25-15-11-16-35-21-25/h11,15-16,21-24,26,28,30,42H,5-10,12-14,17-20H2,1-4H3,(H,36,44)(H,38,43) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012941
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCCNC(=O)[C@@H](CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C34H51N7O3/c1-5-7-17-36-34(44)26(23(3)4)19-30(42)28(18-24-13-9-8-10-14-24)38-32(43)20-31-39-40-33-27(12-6-2)37-29(22-41(31)33)25-15-11-16-35-21-25/h11,15-16,21-24,26,28,30,42H,5-10,12-14,17-20H2,1-4H3,(H,36,44)(H,38,43)/t26-,28?,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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012940
(6-Cyclohexyl-4-hydroxy-5-[2-(8-isobutyl-6-phenyl-[...)Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(C)C Show InChI InChI=1S/C36H54N6O3/c1-6-7-18-37-36(45)28(25(4)5)21-32(43)29(20-26-14-10-8-11-15-26)39-34(44)22-33-40-41-35-30(19-24(2)3)38-31(23-42(33)35)27-16-12-9-13-17-27/h9,12-13,16-17,23-26,28-29,32,43H,6-8,10-11,14-15,18-22H2,1-5H3,(H,37,45)(H,39,44) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012942
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCCN(C)C(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C Show InChI InChI=1S/C41H58N8O3/c1-6-8-21-48(5)41(52)32(28(3)4)24-37(50)35(23-29-15-10-9-11-16-29)45-40(51)33(22-30-17-12-19-42-25-30)38-46-47-39-34(14-7-2)44-36(27-49(38)39)31-18-13-20-43-26-31/h12-13,17-20,25-29,32-33,35,37,50H,6-11,14-16,21-24H2,1-5H3,(H,45,51) | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012947
(CHEMBL306098 | N-[1-Cyclohexylmethyl-2-hydroxy-5-m...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)N1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C40H54N8O4/c1-4-10-33-38-46-45-37(48(38)26-35(43-33)30-14-9-16-42-25-30)32(21-29-13-8-15-41-24-29)39(50)44-34(22-28-11-6-5-7-12-28)36(49)23-31(27(2)3)40(51)47-17-19-52-20-18-47/h8-9,13-16,24-28,31-32,34,36,49H,4-7,10-12,17-23H2,1-3H3,(H,44,50) | 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 |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012945
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN)-c1cccnc1 Show InChI InChI=1S/C38H53N9O3/c1-4-10-31-36-46-45-35(47(36)24-33(43-31)28-14-9-17-41-23-28)30(19-27-13-8-16-40-22-27)38(50)44-32(20-26-11-6-5-7-12-26)34(48)21-29(25(2)3)37(49)42-18-15-39/h8-9,13-14,16-17,22-26,29-30,32,34,48H,4-7,10-12,15,18-21,39H2,1-3H3,(H,42,49)(H,44,50) | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012936
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)N(C)CCN(C)C)-c1cccnc1 Show InChI InChI=1S/C41H59N9O3/c1-7-13-34-39-47-46-38(50(39)27-36(44-34)31-17-12-19-43-26-31)33(22-30-16-11-18-42-25-30)40(52)45-35(23-29-14-9-8-10-15-29)37(51)24-32(28(2)3)41(53)49(6)21-20-48(4)5/h11-12,16-19,25-29,32-33,35,37,51H,7-10,13-15,20-24H2,1-6H3,(H,45,52) | 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 | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human renin |
J Med Chem 33: 2335-42 (1990)
BindingDB Entry DOI: 10.7270/Q2C8288F |
More data for this
Ligand-Target Pair | |
Search and Browse
