Found 145 hits with Last Name = 'spina' and Initial = 'kp' 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)) | BDBM50046798
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C35H55N5O6S2/c1-25(2)18-32(41)33(42)30(20-27-12-8-5-9-13-27)37-35(44)31(21-29-22-47-24-36-29)38-34(43)28(19-26-10-6-4-7-11-26)23-48(45,46)40-16-14-39(3)15-17-40/h4,6-7,10-11,22,24-25,27-28,30-33,41-42H,5,8-9,12-21,23H2,1-3H3,(H,37,44)(H,38,43)/t28-,30+,31+,32+,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against monkey plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014049
(CHEMBL287953 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES C[C@H]1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H49N5O7/c1-21-15-28(45-32(21)43)29(40)25(16-22-11-7-5-8-12-22)37-31(42)27(18-24-19-35-20-36-24)38-30(41)26(17-23-13-9-6-10-14-23)39-33(44)46-34(2,3)4/h6,9-10,13-14,19-22,25-29,40H,5,7-8,11-12,15-18H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,44)/t21-,25-,26-,27-,28-,29+/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 | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of human plasma renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006122
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C35H52N4O6S/c1-24(2)17-31(40)33(42)29(19-26-11-7-4-8-12-26)37-35(44)30(21-28-22-46-23-36-28)38-34(43)27(18-25-9-5-3-6-10-25)20-32(41)39-13-15-45-16-14-39/h3,5-6,9-10,22-24,26-27,29-31,33,40,42H,4,7-8,11-21H2,1-2H3,(H,37,44)(H,38,43)/t27-,29+,30+,31+,33-/m1/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 | 0.360 | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Texas
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renin at a pH of 6.0. |
J Med Chem 35: 1710-21 (1992)
BindingDB Entry DOI: 10.7270/Q2GT5M4C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014052
(CHEMBL445350 | {1-[1-(4-Azido-1-cyclohexylmethyl-2...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN=[N+]=[N-] Show InChI InChI=1S/C31H46N8O6/c1-31(2,3)45-30(44)38-24(15-21-12-8-5-9-13-21)28(42)37-25(16-22-17-33-19-34-22)29(43)36-23(14-20-10-6-4-7-11-20)27(41)26(40)18-35-39-32/h5,8-9,12-13,17,19-20,23-27,40-41H,4,6-7,10-11,14-16,18H2,1-3H3,(H,33,34)(H,36,43)(H,37,42)(H,38,44)/t23-,24-,25-,26-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006125
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)C(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H49N3O4S/c1-25(2)18-33(40)34(41)31(21-28-16-10-5-11-17-28)38-36(43)32(22-30-23-44-24-37-30)39-35(42)29(19-26-12-6-3-7-13-26)20-27-14-8-4-9-15-27/h3-4,6-9,12-15,23-25,28-29,31-34,40-41H,5,10-11,16-22H2,1-2H3,(H,38,43)(H,39,42)/t31-,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 | 0.470 | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Texas
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renin at a pH of 6.0. |
J Med Chem 35: 1710-21 (1992)
BindingDB Entry DOI: 10.7270/Q2GT5M4C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014059
(CHEMBL38954 | {1-[1-[1-Cyclohexylmethyl-2-(3-ethyl...)Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H50N6O7/c1-5-40-20-28(46-33(40)45)29(41)25(16-22-12-8-6-9-13-22)37-31(43)27(18-24-19-35-21-36-24)38-30(42)26(17-23-14-10-7-11-15-23)39-32(44)47-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t25-,26-,27-,28-,29+/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 | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of human plasma renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006138
(2-(Morpholine-4-carbonyl)-3-phenyl-cyclopropanecar...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C35H50N4O6S/c1-22(2)17-28(40)32(41)26(18-23-9-5-3-6-10-23)37-33(42)27(19-25-20-46-21-36-25)38-34(43)30-29(24-11-7-4-8-12-24)31(30)35(44)39-13-15-45-16-14-39/h4,7-8,11-12,20-23,26-32,40-41H,3,5-6,9-10,13-19H2,1-2H3,(H,37,42)(H,38,43)/t26-,27-,28-,29+,30+,31+,32+/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 | 0.700 | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Texas
Curated by ChEMBL
| Assay Description
In vitro potency against human plasma renin at pH 7.4 |
J Med Chem 35: 1710-21 (1992)
BindingDB Entry DOI: 10.7270/Q2GT5M4C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014060
(CHEMBL288346 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CN(CCO)C(=O)O1 Show InChI InChI=1S/C34H50N6O8/c1-34(2,3)48-32(45)39-26(17-23-12-8-5-9-13-23)30(43)38-27(18-24-19-35-21-36-24)31(44)37-25(16-22-10-6-4-7-11-22)29(42)28-20-40(14-15-41)33(46)47-28/h5,8-9,12-13,19,21-22,25-29,41-42H,4,6-7,10-11,14-18,20H2,1-3H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/t25-,26-,27-,28-,29+/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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014048
(CHEMBL41303 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(=C)C(=O)O1 Show InChI InChI=1S/C34H47N5O7/c1-21-15-28(45-32(21)43)29(40)25(16-22-11-7-5-8-12-22)37-31(42)27(18-24-19-35-20-36-24)38-30(41)26(17-23-13-9-6-10-14-23)39-33(44)46-34(2,3)4/h6,9-10,13-14,19-20,22,25-29,40H,1,5,7-8,11-12,15-18H2,2-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,44)/t25-,26-,27-,28-,29+/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 | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046799
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCn1cccn1)Cc1ccccc1 Show InChI InChI=1S/C37H54N6O5S/c1-26(2)19-33(44)35(46)31(21-28-13-8-5-9-14-28)40-37(48)32(23-30-24-49-25-38-30)41-36(47)29(20-27-11-6-4-7-12-27)22-34(45)42(3)17-18-43-16-10-15-39-43/h4,6-7,10-12,15-16,24-26,28-29,31-33,35,44,46H,5,8-9,13-14,17-23H2,1-3H3,(H,40,48)(H,41,47)/t29-,31+,32+,33+,35-/m1/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 | 0.720 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046794
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccccn1)Cc1ccccc1 Show InChI InChI=1S/C39H55N5O5S/c1-27(2)20-35(45)37(47)33(22-29-14-8-5-9-15-29)42-39(49)34(24-32-25-50-26-41-32)43-38(48)30(21-28-12-6-4-7-13-28)23-36(46)44(3)19-17-31-16-10-11-18-40-31/h4,6-7,10-13,16,18,25-27,29-30,33-35,37,45,47H,5,8-9,14-15,17,19-24H2,1-3H3,(H,42,49)(H,43,48)/t30-,33+,34+,35+,37-/m1/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 | 0.760 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against monkey plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046802
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES COCCOCOCCN(C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C38H61N5O8/c1-27(2)19-34(44)36(46)32(21-29-13-9-6-10-14-29)41-38(48)33(23-31-24-39-25-40-31)42-37(47)30(20-28-11-7-5-8-12-28)22-35(45)43(3)15-16-50-26-51-18-17-49-4/h5,7-8,11-12,24-25,27,29-30,32-34,36,44,46H,6,9-10,13-23,26H2,1-4H3,(H,39,40)(H,41,48)(H,42,47)/t30-,32+,33+,34+,36-/m1/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 | 0.800 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014053
(CHEMBL416429 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)N1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C35H52N6O7/c1-22(2)41-20-29(47-34(41)46)30(42)26(16-23-12-8-6-9-13-23)38-32(44)28(18-25-19-36-21-37-25)39-31(43)27(17-24-14-10-7-11-15-24)40-33(45)48-35(3,4)5/h7,10-11,14-15,19,21-23,26-30,42H,6,8-9,12-13,16-18,20H2,1-5H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/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 | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046796
((S)-N-[(S)-1-((1S,2R,3S)-1-Cyclohexylmethyl-2,3-di...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C Show InChI InChI=1S/C34H53N3O6S2/c1-23(2)16-30(38)31(39)28(18-25-14-10-7-11-15-25)36-33(41)29(19-27-20-44-22-35-27)37-32(40)26(17-24-12-8-6-9-13-24)21-45(42,43)34(3,4)5/h6,8-9,12-13,20,22-23,25-26,28-31,38-39H,7,10-11,14-19,21H2,1-5H3,(H,36,41)(H,37,40)/t26-,28+,29+,30+,31-/m1/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 | 0.870 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014063
(CHEMBL290215 | {1-[1-[1-Cyclohexylmethyl-2-(4,4-di...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(C)(C)C(=O)O1 Show InChI InChI=1S/C35H51N5O7/c1-34(2,3)47-33(45)40-26(17-23-14-10-7-11-15-23)30(42)39-27(18-24-20-36-21-37-24)31(43)38-25(16-22-12-8-6-9-13-22)29(41)28-19-35(4,5)32(44)46-28/h7,10-11,14-15,20-22,25-29,41H,6,8-9,12-13,16-19H2,1-5H3,(H,36,37)(H,38,43)(H,39,42)(H,40,45)/t25-,26-,27-,28-,29+/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 | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014054
((5R){1-[1-[1-Cyclohexylmethyl-2-hydroxy-2-(3-metho...)Show SMILES CON1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H48N6O8/c1-33(2,3)47-31(43)38-25(16-22-13-9-6-10-14-22)29(41)37-26(17-23-18-34-20-35-23)30(42)36-24(15-21-11-7-5-8-12-21)28(40)27-19-39(45-4)32(44)46-27/h6,9-10,13-14,18,20-21,24-28,40H,5,7-8,11-12,15-17,19H2,1-4H3,(H,34,35)(H,36,42)(H,37,41)(H,38,43)/t24-,25-,26-,27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014056
(CHEMBL290605 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CCCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C35H52N6O7/c1-5-16-41-21-29(47-34(41)46)30(42)26(17-23-12-8-6-9-13-23)38-32(44)28(19-25-20-36-22-37-25)39-31(43)27(18-24-14-10-7-11-15-24)40-33(45)48-35(2,3)4/h7,10-11,14-15,20,22-23,26-30,42H,5-6,8-9,12-13,16-19,21H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of human plasma renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046798
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C35H55N5O6S2/c1-25(2)18-32(41)33(42)30(20-27-12-8-5-9-13-27)37-35(44)31(21-29-22-47-24-36-29)38-34(43)28(19-26-10-6-4-7-11-26)23-48(45,46)40-16-14-39(3)15-17-40/h4,6-7,10-11,22,24-25,27-28,30-33,41-42H,5,8-9,12-21,23H2,1-3H3,(H,37,44)(H,38,43)/t28-,30+,31+,32+,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046798
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C35H55N5O6S2/c1-25(2)18-32(41)33(42)30(20-27-12-8-5-9-13-27)37-35(44)31(21-29-22-47-24-36-29)38-34(43)28(19-26-10-6-4-7-11-26)23-48(45,46)40-16-14-39(3)15-17-40/h4,6-7,10-11,22,24-25,27-28,30-33,41-42H,5,8-9,12-21,23H2,1-3H3,(H,37,44)(H,38,43)/t28-,30+,31+,32+,33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006123
(2,3-Diphenyl-cyclopropanecarboxylic acid [1-(1-cyc...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)C1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H47N3O4S/c1-23(2)18-30(40)34(41)28(19-24-12-6-3-7-13-24)38-35(42)29(20-27-21-44-22-37-27)39-36(43)33-31(25-14-8-4-9-15-25)32(33)26-16-10-5-11-17-26/h4-5,8-11,14-17,21-24,28-34,40-41H,3,6-7,12-13,18-20H2,1-2H3,(H,38,42)(H,39,43)/t28-,29-,30-,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 | 1.10 | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Texas
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renin at a pH of 6.0. |
J Med Chem 35: 1710-21 (1992)
BindingDB Entry DOI: 10.7270/Q2GT5M4C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014051
(CHEMBL273771 | {1-[1-[1-Cyclohexylmethyl-2-(1-ethy...)Show SMILES CCN1C[C@H](NC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H51N7O6/c1-5-41-20-28(39-32(41)45)29(42)25(16-22-12-8-6-9-13-22)37-31(44)27(18-24-19-35-21-36-24)38-30(43)26(17-23-14-10-7-11-15-23)40-33(46)47-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,42H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,27-,28-,29+/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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014047
(CHEMBL291119 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES C[C@@H]1CO[C@@H](C1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H51N5O6/c1-22-15-29(44-20-22)30(40)26(16-23-11-7-5-8-12-23)37-32(42)28(18-25-19-35-21-36-25)38-31(41)27(17-24-13-9-6-10-14-24)39-33(43)45-34(2,3)4/h6,9-10,13-14,19,21-23,26-30,40H,5,7-8,11-12,15-18,20H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t22-,26-,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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014045
(CHEMBL40053 | {1-[1-[1-Cyclohexylmethyl-2-(3-ethox...)Show SMILES CCON1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H50N6O8/c1-5-46-40-20-28(47-33(40)45)29(41)25(16-22-12-8-6-9-13-22)37-31(43)27(18-24-19-35-21-36-24)38-30(42)26(17-23-14-10-7-11-15-23)39-32(44)48-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t25-,26-,27-,28-,29+/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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of human plasma renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046801
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCn1ccnc1)Cc1ccccc1 Show InChI InChI=1S/C37H54N6O5S/c1-26(2)18-33(44)35(46)31(20-28-12-8-5-9-13-28)40-37(48)32(22-30-23-49-25-39-30)41-36(47)29(19-27-10-6-4-7-11-27)21-34(45)42(3)16-17-43-15-14-38-24-43/h4,6-7,10-11,14-15,23-26,28-29,31-33,35,44,46H,5,8-9,12-13,16-22H2,1-3H3,(H,40,48)(H,41,47)/t29-,31+,32+,33+,35-/m1/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 | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011228
((R)-2-Benzyl-N-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-...)Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C35H50N6O7/c1-2-40-22-30(48-35(40)46)32(43)28(18-25-11-7-4-8-12-25)38-34(45)29(20-27-21-36-23-37-27)39-33(44)26(17-24-9-5-3-6-10-24)19-31(42)41-13-15-47-16-14-41/h3,5-6,9-10,21,23,25-26,28-30,32,43H,2,4,7-8,11-20,22H2,1H3,(H,36,37)(H,38,45)(H,39,44)/t26-,28+,29+,30+,32-/m1/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 | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 7.4 |
J Med Chem 36: 449-59 (1993)
BindingDB Entry DOI: 10.7270/Q20K27M6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014057
(CHEMBL288272 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H48N6O7/c1-33(2,3)46-31(43)38-25(16-22-13-9-6-10-14-22)29(41)37-26(17-23-18-34-20-35-23)30(42)36-24(15-21-11-7-5-8-12-21)28(40)27-19-39(4)32(44)45-27/h6,9-10,13-14,18,20-21,24-28,40H,5,7-8,11-12,15-17,19H2,1-4H3,(H,34,35)(H,36,42)(H,37,41)(H,38,43)/t24-,25-,26-,27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of human plasma renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014055
(CHEMBL288347 | {1-[1-[1-Cyclohexylmethyl-2-(5-ethy...)Show SMILES CCN1C[C@H](NS1(=O)=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H51N7O7S/c1-5-40-20-28(39-48(40,45)46)29(41)25(16-22-12-8-6-9-13-22)36-31(43)27(18-24-19-34-21-35-24)37-30(42)26(17-23-14-10-7-11-15-23)38-32(44)47-33(2,3)4/h7,10-11,14-15,19,21-22,25-29,39,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,34,35)(H,36,43)(H,37,42)(H,38,44)/t25-,26-,27-,28-,29+/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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014062
(CHEMBL289144 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)ON1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C35H52N6O8/c1-22(2)49-41-20-29(47-34(41)46)30(42)26(16-23-12-8-6-9-13-23)38-32(44)28(18-25-19-36-21-37-25)39-31(43)27(17-24-14-10-7-11-15-24)40-33(45)48-35(3,4)5/h7,10-11,14-15,19,21-23,26-30,42H,6,8-9,12-13,16-18,20H2,1-5H3,(H,36,37)(H,38,44)(H,39,43)(H,40,45)/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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50011713
(CHEMBL430933 | {1-[1-(1-Cyclohexylmethyl-2,3-dihyd...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H53N5O6/c1-22(2)16-29(40)30(41)26(17-23-12-8-6-9-13-23)37-32(43)28(19-25-20-35-21-36-25)38-31(42)27(18-24-14-10-7-11-15-24)39-33(44)45-34(3,4)5/h7,10-11,14-15,20-23,26-30,40-41H,6,8-9,12-13,16-19H2,1-5H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046806
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES COCCOCOCCN(C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C38H60N4O8S/c1-27(2)19-34(43)36(45)32(21-29-13-9-6-10-14-29)40-38(47)33(23-31-24-51-25-39-31)41-37(46)30(20-28-11-7-5-8-12-28)22-35(44)42(3)15-16-49-26-50-18-17-48-4/h5,7-8,11-12,24-25,27,29-30,32-34,36,43,45H,6,9-10,13-23,26H2,1-4H3,(H,40,47)(H,41,46)/t30-,32+,33+,34+,36-/m1/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 | 1.60 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022647
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C35H53N5O6/c1-24(2)17-31(41)33(43)29(19-26-11-7-4-8-12-26)38-35(45)30(21-28-22-36-23-37-28)39-34(44)27(18-25-9-5-3-6-10-25)20-32(42)40-13-15-46-16-14-40/h3,5-6,9-10,22-24,26-27,29-31,33,41,43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)/t27-,29+,30+,31+,33-/m1/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 | 1.60 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 7.4 |
J Med Chem 36: 449-59 (1993)
BindingDB Entry DOI: 10.7270/Q20K27M6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046808
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cccn1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccccn1)Cc1ccccc1 Show InChI InChI=1S/C39H56N6O5/c1-28(2)23-35(46)37(48)33(25-30-15-8-5-9-16-30)42-39(50)34(27-45-21-12-20-41-45)43-38(49)31(24-29-13-6-4-7-14-29)26-36(47)44(3)22-18-32-17-10-11-19-40-32/h4,6-7,10-14,17,19-21,28,30-31,33-35,37,46,48H,5,8-9,15-16,18,22-27H2,1-3H3,(H,42,50)(H,43,49)/t31-,33+,34+,35+,37-/m1/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 | 1.60 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046805
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N(C)CCc1ccccn1 Show InChI InChI=1S/C38H55N5O6S2/c1-27(2)20-35(44)36(45)33(22-29-14-8-5-9-15-29)41-38(47)34(23-32-24-50-26-40-32)42-37(46)30(21-28-12-6-4-7-13-28)25-51(48,49)43(3)19-17-31-16-10-11-18-39-31/h4,6-7,10-13,16,18,24,26-27,29-30,33-36,44-45H,5,8-9,14-15,17,19-23,25H2,1-3H3,(H,41,47)(H,42,46)/t30-,33+,34+,35+,36-/m1/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 | 1.80 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006128
(2-Isobutyl-3-(morpholine-4-carbonyl)-cyclopropanec...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@@H](CC(C)C)[C@H]1C(=O)N1CCOCC1 Show InChI InChI=1S/C33H54N4O6S/c1-20(2)14-24-28(29(24)33(42)37-10-12-43-13-11-37)32(41)36-26(17-23-18-44-19-34-23)31(40)35-25(16-22-8-6-5-7-9-22)30(39)27(38)15-21(3)4/h18-22,24-30,38-39H,5-17H2,1-4H3,(H,35,40)(H,36,41)/t24-,25+,26+,27+,28-,29-,30-/m1/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 | 2.10 | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Texas
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renin at a pH of 6.0. |
J Med Chem 35: 1710-21 (1992)
BindingDB Entry DOI: 10.7270/Q2GT5M4C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014049
(CHEMBL287953 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES C[C@H]1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H49N5O7/c1-21-15-28(45-32(21)43)29(40)25(16-22-11-7-5-8-12-22)37-31(42)27(18-24-19-35-20-36-24)38-30(41)26(17-23-13-9-6-10-14-23)39-33(44)46-34(2,3)4/h6,9-10,13-14,19-22,25-29,40H,5,7-8,11-12,15-18H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,44)/t21-,25-,26-,27-,28-,29+/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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of human plasma renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006132
(CHEMBL297929 | [1-[1-(1-Cyclohexylmethyl-2,3-dihyd...)Show SMILES CCOC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C32H52IN3O6/c1-6-42-32(41)36-27(19-23-12-14-24(33)15-13-23)31(40)35-26(16-20(2)3)30(39)34-25(18-22-10-8-7-9-11-22)29(38)28(37)17-21(4)5/h12-15,20-22,25-29,37-38H,6-11,16-19H2,1-5H3,(H,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-,29+/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 | 2.40 | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Texas
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renin at a pH of 6.0. |
J Med Chem 35: 1710-21 (1992)
BindingDB Entry DOI: 10.7270/Q2GT5M4C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046794
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccccn1)Cc1ccccc1 Show InChI InChI=1S/C39H55N5O5S/c1-27(2)20-35(45)37(47)33(22-29-14-8-5-9-15-29)42-39(49)34(24-32-25-50-26-41-32)43-38(48)30(21-28-12-6-4-7-13-28)23-36(46)44(3)19-17-31-16-10-11-18-40-31/h4,6-7,10-13,16,18,25-27,29-30,33-35,37,45,47H,5,8-9,14-15,17,19-24H2,1-3H3,(H,42,49)(H,43,48)/t30-,33+,34+,35+,37-/m1/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 | 2.60 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014059
(CHEMBL38954 | {1-[1-[1-Cyclohexylmethyl-2-(3-ethyl...)Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H50N6O7/c1-5-40-20-28(46-33(40)45)29(41)25(16-22-12-8-6-9-13-22)37-31(43)27(18-24-19-35-21-36-24)38-30(42)26(17-23-14-10-7-11-15-23)39-32(44)47-34(2,3)4/h7,10-11,14-15,19,21-22,25-29,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t25-,26-,27-,28-,29+/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of human plasma renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014063
(CHEMBL290215 | {1-[1-[1-Cyclohexylmethyl-2-(4,4-di...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(C)(C)C(=O)O1 Show InChI InChI=1S/C35H51N5O7/c1-34(2,3)47-33(45)40-26(17-23-14-10-7-11-15-23)30(42)39-27(18-24-20-36-21-37-24)31(43)38-25(16-22-12-8-6-9-13-22)29(41)28-19-35(4,5)32(44)46-28/h7,10-11,14-15,20-22,25-29,41H,6,8-9,12-13,16-19H2,1-5H3,(H,36,37)(H,38,43)(H,39,42)(H,40,45)/t25-,26-,27-,28-,29+/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046785
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1 Show InChI InChI=1S/C36H56N6O5/c1-25(2)20-32(43)34(45)30(22-27-12-8-5-9-13-27)38-36(47)31(24-29-14-15-37-40-29)39-35(46)28(21-26-10-6-4-7-11-26)23-33(44)42-18-16-41(3)17-19-42/h4,6-7,10-11,14-15,25,27-28,30-32,34,43,45H,5,8-9,12-13,16-24H2,1-3H3,(H,37,40)(H,38,47)(H,39,46)/t28-,30+,31+,32+,34-/m1/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 | 2.80 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 7.4 |
J Med Chem 36: 449-59 (1993)
BindingDB Entry DOI: 10.7270/Q20K27M6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014046
(CHEMBL289145 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)CN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C36H54N6O7/c1-23(2)20-42-21-30(48-35(42)47)31(43)27(16-24-12-8-6-9-13-24)39-33(45)29(18-26-19-37-22-38-26)40-32(44)28(17-25-14-10-7-11-15-25)41-34(46)49-36(3,4)5/h7,10-11,14-15,19,22-24,27-31,43H,6,8-9,12-13,16-18,20-21H2,1-5H3,(H,37,38)(H,39,45)(H,40,44)(H,41,46)/t27-,28-,29-,30-,31+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046800
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccncc1)Cc1ccccc1 Show InChI InChI=1S/C39H55N5O5S/c1-27(2)20-35(45)37(47)33(22-30-12-8-5-9-13-30)42-39(49)34(24-32-25-50-26-41-32)43-38(48)31(21-29-10-6-4-7-11-29)23-36(46)44(3)19-16-28-14-17-40-18-15-28/h4,6-7,10-11,14-15,17-18,25-27,30-31,33-35,37,45,47H,5,8-9,12-13,16,19-24H2,1-3H3,(H,42,49)(H,43,48)/t31-,33+,34+,35+,37-/m1/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 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014047
(CHEMBL291119 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES C[C@@H]1CO[C@@H](C1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H51N5O6/c1-22-15-29(44-20-22)30(40)26(16-23-11-7-5-8-12-23)37-32(42)28(18-25-19-35-21-36-25)38-31(41)27(17-24-13-9-6-10-14-24)39-33(43)45-34(2,3)4/h6,9-10,13-14,19,21-23,26-30,40H,5,7-8,11-12,15-18,20H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t22-,26-,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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014061
(CHEMBL288411 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCNC(=O)O1 Show InChI InChI=1S/C33H48N6O7/c1-33(2,3)46-32(44)39-25(17-22-12-8-5-9-13-22)29(41)38-26(18-23-19-34-20-36-23)30(42)37-24(16-21-10-6-4-7-11-21)28(40)27-14-15-35-31(43)45-27/h5,8-9,12-13,19-21,24-28,40H,4,6-7,10-11,14-18H2,1-3H3,(H,34,36)(H,35,43)(H,37,42)(H,38,41)(H,39,44)/t24-,25-,26-,27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046781
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C35H53N5O6/c1-24(2)19-31(41)33(43)29(21-26-11-7-4-8-12-26)37-35(45)30(23-28-13-14-36-39-28)38-34(44)27(20-25-9-5-3-6-10-25)22-32(42)40-15-17-46-18-16-40/h3,5-6,9-10,13-14,24,26-27,29-31,33,41,43H,4,7-8,11-12,15-23H2,1-2H3,(H,36,39)(H,37,45)(H,38,44)/t27-,29+,30+,31+,33-/m1/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 | 3.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin at pH 7.4 |
J Med Chem 36: 449-59 (1993)
BindingDB Entry DOI: 10.7270/Q20K27M6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046809
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C1CN(C)C1 Show InChI InChI=1S/C34H52N4O6S2/c1-23(2)14-31(39)32(40)29(16-25-12-8-5-9-13-25)36-34(42)30(17-27-20-45-22-35-27)37-33(41)26(15-24-10-6-4-7-11-24)21-46(43,44)28-18-38(3)19-28/h4,6-7,10-11,20,22-23,25-26,28-32,39-40H,5,8-9,12-19,21H2,1-3H3,(H,36,42)(H,37,41)/t26-,29+,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
| PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046811
(2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C1CCN(C)CC1 Show InChI InChI=1S/C36H56N4O6S2/c1-25(2)18-33(41)34(42)31(20-27-12-8-5-9-13-27)38-36(44)32(21-29-22-47-24-37-29)39-35(43)28(19-26-10-6-4-7-11-26)23-48(45,46)30-14-16-40(3)17-15-30/h4,6-7,10-11,22,24-25,27-28,30-34,41-42H,5,8-9,12-21,23H2,1-3H3,(H,38,44)(H,39,43)/t28-,31+,32+,33+,34-/m1/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 | 4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046792
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C38H59N5O6S/c1-27(2)20-34(44)36(46)32(22-29-12-8-5-9-13-29)40-38(48)33(24-31-25-50-26-39-31)41-37(47)30(21-28-10-6-4-7-11-28)23-35(45)42(3)14-15-43-16-18-49-19-17-43/h4,6-7,10-11,25-27,29-30,32-34,36,44,46H,5,8-9,12-24H2,1-3H3,(H,40,48)(H,41,47)/t30-,32+,33+,34+,36-/m1/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 | 4.10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50046797
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)Show SMILES COCCN(C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C35H54N4O6S/c1-24(2)17-31(40)33(42)29(19-26-13-9-6-10-14-26)37-35(44)30(21-28-22-46-23-36-28)38-34(43)27(18-25-11-7-5-8-12-25)20-32(41)39(3)15-16-45-4/h5,7-8,11-12,22-24,26-27,29-31,33,40,42H,6,9-10,13-21H2,1-4H3,(H,37,44)(H,38,43)/t27-,29+,30+,31+,33-/m1/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 | 4.10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma renin at pH 7.4 |
J Med Chem 36: 460-7 (1993)
BindingDB Entry DOI: 10.7270/Q2VT1R5C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50014058
(CHEMBL289146 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CNC(=O)O1 Show InChI InChI=1S/C32H46N6O7/c1-32(2,3)45-31(43)38-24(15-21-12-8-5-9-13-21)28(40)37-25(16-22-17-33-19-35-22)29(41)36-23(14-20-10-6-4-7-11-20)27(39)26-18-34-30(42)44-26/h5,8-9,12-13,17,19-20,23-27,39H,4,6-7,10-11,14-16,18H2,1-3H3,(H,33,35)(H,34,42)(H,36,41)(H,37,40)(H,38,43)/t23-,24-,25-,26-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of purified human renal renin. |
J Med Chem 33: 1582-90 (1990)
BindingDB Entry DOI: 10.7270/Q2NK3D0G |
More data for this
Ligand-Target Pair | |
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