Found 16 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)) | BDBM50287366
((2R,4S,5S)-5-Amino-6-[(1R,3S)-3-(4,4-dimethyl-pent...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H]1CCC[C@@H](CCCC(C)(C)C)C1 Show InChI InChI=1S/C24H48N2O2/c1-6-7-14-26-23(28)18(2)15-22(27)21(25)17-20-11-8-10-19(16-20)12-9-13-24(3,4)5/h18-22,27H,6-17,25H2,1-5H3,(H,26,28)/t18-,19+,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287368
((2R,4S,5S)-5-Amino-4-hydroxy-2,7,7-trimethyl-9-nap...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1cccc2ccccc12 Show InChI InChI=1S/C26H40N2O2/c1-5-6-16-28-25(30)19(2)17-24(29)23(27)18-26(3,4)15-14-21-12-9-11-20-10-7-8-13-22(20)21/h7-13,19,23-24,29H,5-6,14-18,27H2,1-4H3,(H,28,30)/t19-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287360
((2R,4S,5S)-5-Amino-6-[3-(4,4-dimethyl-pentyl)-cycl...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCC(CCCC(C)(C)C)C1 Show InChI InChI=1S/C24H48N2O2/c1-6-7-14-26-23(28)18(2)15-22(27)21(25)17-20-11-8-10-19(16-20)12-9-13-24(3,4)5/h18-22,27H,6-17,25H2,1-5H3,(H,26,28)/t18-,19?,20?,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287362
((2R,4S,5S)-5-Amino-4-hydroxy-2,7,7-trimethyl-10-na...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCCc1cccc2ccccc12 Show InChI InChI=1S/C27H42N2O2/c1-5-6-17-29-26(31)20(2)18-25(30)24(28)19-27(3,4)16-10-14-22-13-9-12-21-11-7-8-15-23(21)22/h7-9,11-13,15,20,24-25,30H,5-6,10,14,16-19,28H2,1-4H3,(H,29,31)/t20-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287374
((2R,4S,5S)-5-Amino-7,7-diethyl-4-hydroxy-2-methyl-...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(CC)(CC)CCc1cccc2ccccc12 Show InChI InChI=1S/C28H44N2O2/c1-5-8-18-30-27(32)21(4)19-26(31)25(29)20-28(6-2,7-3)17-16-23-14-11-13-22-12-9-10-15-24(22)23/h9-15,21,25-26,31H,5-8,16-20,29H2,1-4H3,(H,30,32)/t21-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287361
((2R,4S,5S)-5-Amino-6-[(1R,3R)-3-(4,4-dimethyl-pent...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H]1CCC[C@H](CCCC(C)(C)C)C1 Show InChI InChI=1S/C24H48N2O2/c1-6-7-14-26-23(28)18(2)15-22(27)21(25)17-20-11-8-10-19(16-20)12-9-13-24(3,4)5/h18-22,27H,6-17,25H2,1-5H3,(H,26,28)/t18-,19-,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287364
((2R,4S,5S)-5-Amino-4-hydroxy-2,7,7-trimethyl-9-nap...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1ccc2ccccc2c1 Show InChI InChI=1S/C26H40N2O2/c1-5-6-15-28-25(30)19(2)16-24(29)23(27)18-26(3,4)14-13-20-11-12-21-9-7-8-10-22(21)17-20/h7-12,17,19,23-24,29H,5-6,13-16,18,27H2,1-4H3,(H,28,30)/t19-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287365
((2R,4S,5S)-5-Amino-4-hydroxy-2,7,7-trimethyl-10-na...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCCc1ccc2ccccc2c1 Show InChI InChI=1S/C27H42N2O2/c1-5-6-16-29-26(31)20(2)17-25(30)24(28)19-27(3,4)15-9-10-21-13-14-22-11-7-8-12-23(22)18-21/h7-8,11-14,18,20,24-25,30H,5-6,9-10,15-17,19,28H2,1-4H3,(H,29,31)/t20-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287372
((2R,4S,5S)-5-Amino-6-[4-(4,4-dimethyl-pentyl)-cycl...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H]1CC[C@H](CCCC(C)(C)C)CC1 |wU:10.10,7.7,18.18,wD:12.12,15.14,(22.77,-10.25,;21.43,-11.02,;20.1,-10.25,;18.77,-11.02,;17.44,-10.25,;16.1,-11.02,;16.1,-12.56,;14.77,-10.25,;14.77,-8.71,;13.42,-11.02,;12.09,-10.25,;12.09,-8.71,;10.76,-11.02,;9.43,-10.25,;10.76,-12.56,;9.43,-13.33,;8.1,-12.55,;6.77,-13.31,;6.75,-14.85,;5.42,-15.62,;4.09,-14.84,;2.75,-15.59,;1.42,-14.82,;.08,-15.57,;1.43,-13.28,;1.8,-16.31,;8.08,-15.63,;9.43,-14.87,)| Show InChI InChI=1S/C24H48N2O2/c1-6-7-15-26-23(28)18(2)16-22(27)21(25)17-20-12-10-19(11-13-20)9-8-14-24(3,4)5/h18-22,27H,6-17,25H2,1-5H3,(H,26,28)/t18-,19-,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287359
((2R,4S,5S)-5-Amino-4-hydroxy-9-(4-hydroxymethyl-na...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1ccc(CO)c2ccccc12 Show InChI InChI=1S/C27H42N2O3/c1-5-6-15-29-26(32)19(2)16-25(31)24(28)17-27(3,4)14-13-20-11-12-21(18-30)23-10-8-7-9-22(20)23/h7-12,19,24-25,30-31H,5-6,13-18,28H2,1-4H3,(H,29,32)/t19-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287370
((2R,4S,5S)-5-Amino-6-[3-(4,4-dimethyl-pentyl)-phen...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)Cc1cccc(CCCC(C)(C)C)c1 Show InChI InChI=1S/C24H42N2O2/c1-6-7-14-26-23(28)18(2)15-22(27)21(25)17-20-11-8-10-19(16-20)12-9-13-24(3,4)5/h8,10-11,16,18,21-22,27H,6-7,9,12-15,17,25H2,1-5H3,(H,26,28)/t18-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287373
((2R,4S,5S)-5-Amino-6-cyclohexyl-4-hydroxy-2-methyl...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCCC1 Show InChI InChI=1S/C17H34N2O2/c1-3-4-10-19-17(21)13(2)11-16(20)15(18)12-14-8-6-5-7-9-14/h13-16,20H,3-12,18H2,1-2H3,(H,19,21)/t13-,15+,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287371
((2R,4S,5S)-5-Amino-6-(4-benzyloxy-phenyl)-4-hydrox...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C24H34N2O3/c1-3-4-14-26-24(28)18(2)15-23(27)22(25)16-19-10-12-21(13-11-19)29-17-20-8-6-5-7-9-20/h5-13,18,22-23,27H,3-4,14-17,25H2,1-2H3,(H,26,28)/t18-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287363
((2R,4S,5S)-5-Amino-4-hydroxy-9-(3-hydroxymethyl-ph...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1cccc(CO)c1 Show InChI InChI=1S/C23H40N2O3/c1-5-6-12-25-22(28)17(2)13-21(27)20(24)15-23(3,4)11-10-18-8-7-9-19(14-18)16-26/h7-9,14,17,20-21,26-27H,5-6,10-13,15-16,24H2,1-4H3,(H,25,28)/t17-,20+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287369
((2R,4S,5S)-5-Amino-4-hydroxy-9-(4-hydroxymethyl-ph...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1ccc(CO)cc1 Show InChI InChI=1S/C23H40N2O3/c1-5-6-13-25-22(28)17(2)14-21(27)20(24)15-23(3,4)12-11-18-7-9-19(16-26)10-8-18/h7-10,17,20-21,26-27H,5-6,11-16,24H2,1-4H3,(H,25,28)/t17-,20+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50287367
((2R,4S,5S)-5-Amino-4-hydroxy-2,7-dimethyl-octanoic...)Show InChI InChI=1S/C14H30N2O2/c1-5-6-7-16-14(18)11(4)9-13(17)12(15)8-10(2)3/h10-13,17H,5-9,15H2,1-4H3,(H,16,18)/t11-,12+,13+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.2 | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was tested against purified human renin at pH 7.2 |
Bioorg Med Chem Lett 6: 1589-1594 (1996)
Article DOI: 10.1016/S0960-894X(96)00279-X
BindingDB Entry DOI: 10.7270/Q2154H0C |
More data for this
Ligand-Target Pair | |
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