Found 28 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)) | 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 | 0.290 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022646
(CHEMBL307917 | Morpholine-4-carboxylic acid {1-[1-...)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](CCc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C35H54N6O6/c1-24(2)19-31(42)32(43)29(20-26-11-7-4-8-12-26)38-34(45)30(21-27-22-36-23-37-27)39-33(44)28(14-13-25-9-5-3-6-10-25)40-35(46)41-15-17-47-18-16-41/h3,5-6,9-10,22-24,26,28-32,42-43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t28-,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 | 0.300 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022650
(CHEMBL75117 | Morpholine-4-carboxylic acid {1-[1-(...)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)N1CCOCC1 Show InChI InChI=1S/C34H52N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/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 | 0.350 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022643
(4-Hydroxy-piperidine-1-carboxylic acid {1-[1-(1-cy...)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)N1CCC(O)CC1 Show InChI InChI=1S/C35H54N6O6/c1-23(2)17-31(43)32(44)28(18-24-9-5-3-6-10-24)38-34(46)30(20-26-21-36-22-37-26)39-33(45)29(19-25-11-7-4-8-12-25)40-35(47)41-15-13-27(42)14-16-41/h4,7-8,11-12,21-24,27-32,42-44H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,46)(H,39,45)(H,40,47)/t28-,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 | 0.420 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022649
(CHEMBL76458 | N-[1-(1-Cyclohexylmethyl-2,3-dihydro...)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)N(C)C Show InChI InChI=1S/C32H50N6O5/c1-21(2)15-28(39)29(40)25(16-22-11-7-5-8-12-22)35-31(42)27(18-24-19-33-20-34-24)36-30(41)26(37-32(43)38(3)4)17-23-13-9-6-10-14-23/h6,9-10,13-14,19-22,25-29,39-40H,5,7-8,11-12,15-18H2,1-4H3,(H,33,34)(H,35,42)(H,36,41)(H,37,43)/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 | 0.5 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022645
(CHEMBL75510 | N-[1-(1-Cyclohexylmethyl-2,3-dihydro...)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)N(C)CCO Show InChI InChI=1S/C33H52N6O6/c1-22(2)16-29(41)30(42)26(17-23-10-6-4-7-11-23)36-32(44)28(19-25-20-34-21-35-25)37-31(43)27(18-24-12-8-5-9-13-24)38-33(45)39(3)14-15-40/h5,8-9,12-13,20-23,26-30,40-42H,4,6-7,10-11,14-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)(H,38,45)/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 | 0.550 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022651
(CHEMBL306274 | Morpholine-4-carboxylic acid {1-[1-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)=NC(=O)N1CCOCC1 |w:37.40| Show InChI InChI=1S/C34H50N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27,29-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)/t27-,29-,30-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022644
(CHEMBL73712 | Piperazine-1-carboxylic acid {1-[1-(...)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)N1CCNCC1 Show InChI InChI=1S/C34H53N7O5/c1-23(2)17-30(42)31(43)27(18-24-9-5-3-6-10-24)38-33(45)29(20-26-21-36-22-37-26)39-32(44)28(19-25-11-7-4-8-12-25)40-34(46)41-15-13-35-14-16-41/h4,7-8,11-12,21-24,27-31,35,42-43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/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 | 0.650 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022643
(4-Hydroxy-piperidine-1-carboxylic acid {1-[1-(1-cy...)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)N1CCC(O)CC1 Show InChI InChI=1S/C35H54N6O6/c1-23(2)17-31(43)32(44)28(18-24-9-5-3-6-10-24)38-34(46)30(20-26-21-36-22-37-26)39-33(45)29(19-25-11-7-4-8-12-25)40-35(47)41-15-13-27(42)14-16-41/h4,7-8,11-12,21-24,27-32,42-44H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,46)(H,39,45)(H,40,47)/t28-,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 | 0.680 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022653
(CHEMBL309345 | Morpholine-4-carboxylic acid [1-[1-...)Show SMILES COc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 Show InChI InChI=1S/C35H54N6O7/c1-23(2)17-31(42)32(43)28(18-24-7-5-4-6-8-24)38-34(45)30(20-26-21-36-22-37-26)39-33(44)29(19-25-9-11-27(47-3)12-10-25)40-35(46)41-13-15-48-16-14-41/h9-12,21-24,28-32,42-43H,4-8,13-20H2,1-3H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t28-,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 | 0.760 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022641
(2-Benzylidene-N-[1-(1-cyclohexylmethyl-2,3-dihydro...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)=Cc1ccccc1 |w:39.42| Show InChI InChI=1S/C35H51N5O6/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/h3,5-6,9-10,18,22-24,26,29-31,33,41,43H,4,7-8,11-17,19-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)/t29-,30-,31-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022654
(CHEMBL265485 | Morpholine-4-carboxylic acid 1-[1-(...)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)OC(=O)N1CCOCC1 Show InChI InChI=1S/C34H51N5O7/c1-23(2)17-29(40)31(41)27(18-24-9-5-3-6-10-24)37-32(42)28(20-26-21-35-22-36-26)38-33(43)30(19-25-11-7-4-8-12-25)46-34(44)39-13-15-45-16-14-39/h4,7-8,11-12,21-24,27-31,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,42)(H,38,43)/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 | 0.820 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022650
(CHEMBL75117 | Morpholine-4-carboxylic acid {1-[1-(...)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)N1CCOCC1 Show InChI InChI=1S/C34H52N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/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 | 0.890 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022642
(CHEMBL74765 | Morpholine-4-carboxylic acid (1-{[1-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C35H54N6O6/c1-24(2)18-31(42)32(43)28(19-25-10-6-4-7-11-25)38-33(44)30(21-27-22-36-23-37-27)40(3)34(45)29(20-26-12-8-5-9-13-26)39-35(46)41-14-16-47-17-15-41/h5,8-9,12-13,22-25,28-32,42-43H,4,6-7,10-11,14-21H2,1-3H3,(H,36,37)(H,38,44)(H,39,46)/t28-,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 | 0.940 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022645
(CHEMBL75510 | N-[1-(1-Cyclohexylmethyl-2,3-dihydro...)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)N(C)CCO Show InChI InChI=1S/C33H52N6O6/c1-22(2)16-29(41)30(42)26(17-23-10-6-4-7-11-23)36-32(44)28(19-25-20-34-21-35-25)37-31(43)27(18-24-12-8-5-9-13-24)38-33(45)39(3)14-15-40/h5,8-9,12-13,20-23,26-30,40-42H,4,6-7,10-11,14-19H2,1-3H3,(H,34,35)(H,36,44)(H,37,43)(H,38,45)/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 | 0.980 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
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 | 1.30 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022646
(CHEMBL307917 | Morpholine-4-carboxylic acid {1-[1-...)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](CCc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C35H54N6O6/c1-24(2)19-31(42)32(43)29(20-26-11-7-4-8-12-26)38-34(45)30(21-27-22-36-23-37-27)39-33(44)28(14-13-25-9-5-3-6-10-25)40-35(46)41-15-17-47-18-16-41/h3,5-6,9-10,22-24,26,28-32,42-43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t28-,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 | 2 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022641
(2-Benzylidene-N-[1-(1-cyclohexylmethyl-2,3-dihydro...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)=Cc1ccccc1 |w:39.42| Show InChI InChI=1S/C35H51N5O6/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/h3,5-6,9-10,18,22-24,26,29-31,33,41,43H,4,7-8,11-17,19-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)/t29-,30-,31-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022653
(CHEMBL309345 | Morpholine-4-carboxylic acid [1-[1-...)Show SMILES COc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 Show InChI InChI=1S/C35H54N6O7/c1-23(2)17-31(42)32(43)28(18-24-7-5-4-6-8-24)38-34(45)30(20-26-21-36-22-37-26)39-33(44)29(19-25-9-11-27(47-3)12-10-25)40-35(46)41-13-15-48-16-14-41/h9-12,21-24,28-32,42-43H,4-8,13-20H2,1-3H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t28-,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 | 2.40 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022642
(CHEMBL74765 | Morpholine-4-carboxylic acid (1-{[1-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C35H54N6O6/c1-24(2)18-31(42)32(43)28(19-25-10-6-4-7-11-25)38-33(44)30(21-27-22-36-23-37-27)40(3)34(45)29(20-26-12-8-5-9-13-26)39-35(46)41-14-16-47-17-15-41/h5,8-9,12-13,22-25,28-32,42-43H,4,6-7,10-11,14-21H2,1-3H3,(H,36,37)(H,38,44)(H,39,46)/t28-,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 | 2.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022652
(CHEMBL305865 | Morpholine-4-carboxylic acid {1-[1-...)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](NC(=O)N1CCOCC1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C36H56N6O6/c1-24(2)19-30(43)31(44)28(20-25-11-7-5-8-12-25)39-33(45)29(21-27-22-37-23-38-27)40-34(46)32(36(3,4)26-13-9-6-10-14-26)41-35(47)42-15-17-48-18-16-42/h6,9-10,13-14,22-25,28-32,43-44H,5,7-8,11-12,15-21H2,1-4H3,(H,37,38)(H,39,45)(H,40,46)(H,41,47)/t28-,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 | 2.60 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022654
(CHEMBL265485 | Morpholine-4-carboxylic acid 1-[1-(...)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)OC(=O)N1CCOCC1 Show InChI InChI=1S/C34H51N5O7/c1-23(2)17-29(40)31(41)27(18-24-9-5-3-6-10-24)37-32(42)28(20-26-21-35-22-36-26)38-33(43)30(19-25-11-7-4-8-12-25)46-34(44)39-13-15-45-16-14-39/h4,7-8,11-12,21-24,27-31,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,42)(H,38,43)/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 | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022649
(CHEMBL76458 | N-[1-(1-Cyclohexylmethyl-2,3-dihydro...)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)N(C)C Show InChI InChI=1S/C32H50N6O5/c1-21(2)15-28(39)29(40)25(16-22-11-7-5-8-12-22)35-31(42)27(18-24-19-33-20-34-24)36-30(41)26(37-32(43)38(3)4)17-23-13-9-6-10-14-23/h6,9-10,13-14,19-22,25-29,39-40H,5,7-8,11-12,15-18H2,1-4H3,(H,33,34)(H,35,42)(H,36,41)(H,37,43)/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 | 3.30 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022644
(CHEMBL73712 | Piperazine-1-carboxylic acid {1-[1-(...)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)N1CCNCC1 Show InChI InChI=1S/C34H53N7O5/c1-23(2)17-30(42)31(43)27(18-24-9-5-3-6-10-24)38-33(45)29(20-26-21-36-22-37-26)39-32(44)28(19-25-11-7-4-8-12-25)40-34(46)41-15-13-35-14-16-41/h4,7-8,11-12,21-24,27-31,35,42-43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/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 | 4.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022651
(CHEMBL306274 | Morpholine-4-carboxylic acid {1-[1-...)Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)=NC(=O)N1CCOCC1 |w:37.40| Show InChI InChI=1S/C34H50N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27,29-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)/t27-,29-,30-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022648
(CHEMBL74875 | Morpholine-4-carboxylic acid {1-[1-(...)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)N1CCOCC1 Show InChI InChI=1S/C34H52N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/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 | 14 | n/a | n/a | n/a | n/a | 6.0 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human renin (pH 6.0) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022652
(CHEMBL305865 | Morpholine-4-carboxylic acid {1-[1-...)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](NC(=O)N1CCOCC1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C36H56N6O6/c1-24(2)19-30(43)31(44)28(20-25-11-7-5-8-12-25)39-33(45)29(21-27-22-37-23-38-27)40-34(46)32(36(3,4)26-13-9-6-10-14-26)41-35(47)42-15-17-48-18-16-42/h6,9-10,13-14,22-25,28-32,43-44H,5,7-8,11-12,15-21H2,1-4H3,(H,37,38)(H,39,45)(H,40,46)(H,41,47)/t28-,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 | 65 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50022648
(CHEMBL74875 | Morpholine-4-carboxylic acid {1-[1-(...)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)N1CCOCC1 Show InChI InChI=1S/C34H52N6O6/c1-23(2)17-30(41)31(42)27(18-24-9-5-3-6-10-24)37-33(44)29(20-26-21-35-22-36-26)38-32(43)28(19-25-11-7-4-8-12-25)39-34(45)40-13-15-46-16-14-40/h4,7-8,11-12,21-24,27-31,41-42H,3,5-6,9-10,13-20H2,1-2H3,(H,35,36)(H,37,44)(H,38,43)(H,39,45)/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 | 140 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin (pH 7.4) |
J Med Chem 31: 2277-88 (1989)
BindingDB Entry DOI: 10.7270/Q2PG1QQ4 |
More data for this
Ligand-Target Pair | |
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