Found 24 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)) | BDBM50281226
(CHEMBL328736 | N-[(S)-1-[(2R,3S)-4-((R)-Butylsulfa...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C Show InChI InChI=1S/C35H57N5O8S2/c1-5-6-17-38-50(47,48)23-31(41)32(42)29(19-26-15-11-8-12-16-26)39-34(44)30(20-28-21-36-24-37-28)40-33(43)27(18-25-13-9-7-10-14-25)22-49(45,46)35(2,3)4/h7,9-10,13-14,21,24,26-27,29-32,38,41-42H,5-6,8,11-12,15-20,22-23H2,1-4H3,(H,36,37)(H,39,44)(H,40,43)/t27-,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
| Article
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281231
((S)-4-Methyl-2-[(S)-2-(2-methyl-propane-2-sulfonyl...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C Show InChI InChI=1S/C35H61N3O8S2/c1-7-8-19-36-48(45,46)24-31(39)32(40)29(22-27-17-13-10-14-18-27)37-34(42)30(20-25(2)3)38-33(41)28(21-26-15-11-9-12-16-26)23-47(43,44)35(4,5)6/h9,11-12,15-16,25,27-32,36,39-40H,7-8,10,13-14,17-24H2,1-6H3,(H,37,42)(H,38,41)/t28-,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
| Article
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281229
(1H-Indole-2-carboxylic acid [(S)-1-[4-((S,S,R)-but...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C30H44N6O6S/c1-2-3-13-33-43(41,42)18-27(37)28(38)24(14-20-9-5-4-6-10-20)35-30(40)26(16-22-17-31-19-32-22)36-29(39)25-15-21-11-7-8-12-23(21)34-25/h7-8,11-12,15,17,19-20,24,26-28,33-34,37-38H,2-6,9-10,13-14,16,18H2,1H3,(H,31,32)(H,35,40)(H,36,39)/t24-,26-,27+,28+/m0/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 | 11 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281234
((S)-N-[(S)-4-((R,R)-Butylsulfamoyl)-1-cyclohexylme...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1 Show InChI InChI=1S/C30H47N5O6S/c1-2-3-16-33-42(40,41)20-27(36)29(38)25(17-23-12-8-5-9-13-23)35-30(39)26(18-24-19-31-21-32-24)34-28(37)15-14-22-10-6-4-7-11-22/h4,6-7,10-11,19,21,23,25-27,29,33,36,38H,2-3,5,8-9,12-18,20H2,1H3,(H,31,32)(H,34,37)(H,35,39)/t25-,26-,27-,29+/m0/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 | 64 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281242
((S)-N-[(S)-4-((R,R)-Butylsulfamoyl)-1-cyclohexylme...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H47N5O7S2/c1-2-3-15-32-43(40,41)20-27(35)28(36)25(17-23-12-8-5-9-13-23)33-29(37)26(18-24-19-30-21-31-24)34-42(38,39)16-14-22-10-6-4-7-11-22/h4,6-7,10-11,19,21,23,25-28,32,34-36H,2-3,5,8-9,12-18,20H2,1H3,(H,30,31)(H,33,37)/t25-,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
| Article
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281233
((S)-4-Methyl-2-(3-phenyl-propionylamino)-pentanoic...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)CCc1ccccc1 Show InChI InChI=1S/C30H51N3O6S/c1-4-5-18-31-40(38,39)21-27(34)29(36)25(20-24-14-10-7-11-15-24)33-30(37)26(19-22(2)3)32-28(35)17-16-23-12-8-6-9-13-23/h6,8-9,12-13,22,24-27,29,31,34,36H,4-5,7,10-11,14-21H2,1-3H3,(H,32,35)(H,33,37)/t25-,26-,27+,29+/m0/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 | 3.50E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281238
((2S,3R,4S)-4-Amino-5-cyclohexyl-2,3-dihydroxy-pent...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@@H](N)CC1CCCCC1 Show InChI InChI=1S/C15H32N2O4S/c1-2-3-9-17-22(20,21)11-14(18)15(19)13(16)10-12-7-5-4-6-8-12/h12-15,17-19H,2-11,16H2,1H3/t13-,14+,15+/m0/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 | 1.40E+4 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281223
((2S,3R,4S)-5-Cyclohexyl-2,3-dihydroxy-4-(4-methyl-...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NCCCC(C)C Show InChI InChI=1S/C21H44N2O4S/c1-4-5-14-23-28(26,27)16-20(24)21(25)19(22-13-9-10-17(2)3)15-18-11-7-6-8-12-18/h17-25H,4-16H2,1-3H3/t19-,20+,21+/m0/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 | 1.40E+4 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281222
((S)-N-[(S)-4-((S,R)-Butylsulfamoyl)-1-cyclohexylme...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1 Show InChI InChI=1S/C30H47N5O6S/c1-2-3-16-33-42(40,41)20-27(36)29(38)25(17-23-12-8-5-9-13-23)35-30(39)26(18-24-19-31-21-32-24)34-28(37)15-14-22-10-6-4-7-11-22/h4,6-7,10-11,19,21,23,25-27,29,33,36,38H,2-3,5,8-9,12-18,20H2,1H3,(H,31,32)(H,34,37)(H,35,39)/t25-,26-,27+,29+/m0/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+4 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281237
(CHEMBL93724 | [(S)-1-((1S,2R,3S)-4-Butylsulfamoyl-...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C29H49N3O7S/c1-4-5-16-30-40(37,38)20-26(33)27(34)24(18-22-12-8-6-9-13-22)31-28(35)25(17-21(2)3)32-29(36)39-19-23-14-10-7-11-15-23/h7,10-11,14-15,21-22,24-27,30,33-34H,4-6,8-9,12-13,16-20H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26+,27+/m0/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 | 5.20E+4 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281240
((S)-N-[(S)-4-((S,R)-Butylsulfamoyl)-1-cyclohexylme...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H47N5O7S2/c1-2-3-15-32-43(40,41)20-27(35)28(36)25(17-23-12-8-5-9-13-23)33-29(37)26(18-24-19-30-21-31-24)34-42(38,39)16-14-22-10-6-4-7-11-22/h4,6-7,10-11,19,21,23,25-28,32,34-36H,2-3,5,8-9,12-18,20H2,1H3,(H,30,31)(H,33,37)/t25-,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
| Article
| n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281239
((2R,3R,4S)-5-Cyclohexyl-2,3-dihydroxy-4-[3-(3H-imi...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NCCCc1cnc[nH]1 Show InChI InChI=1S/C21H40N4O4S/c1-2-3-12-25-30(28,29)15-20(26)21(27)19(13-17-8-5-4-6-9-17)23-11-7-10-18-14-22-16-24-18/h14,16-17,19-21,23,25-27H,2-13,15H2,1H3,(H,22,24)/t19-,20-,21+/m0/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 | 3.10E+5 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281232
((2R,3R,4S)-4-Amino-5-cyclohexyl-2,3-dihydroxy-pent...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1 Show InChI InChI=1S/C15H32N2O4S/c1-2-3-9-17-22(20,21)11-14(18)15(19)13(16)10-12-7-5-4-6-8-12/h12-15,17-19H,2-11,16H2,1H3/t13-,14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 4.70E+5 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281227
((2R,3R,4S)-5-Cyclohexyl-2,3-dihydroxy-4-(4-methyl-...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NCCCC(C)C Show InChI InChI=1S/C21H44N2O4S/c1-4-5-14-23-28(26,27)16-20(24)21(25)19(22-13-9-10-17(2)3)15-18-11-7-6-8-12-18/h17-25H,4-16H2,1-3H3/t19-,20-,21+/m0/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 | 6.80E+5 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281225
((S)-2-Amino-4-methyl-pentanoic acid [(2R,3S)-4-((R...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CC(C)C Show InChI InChI=1S/C21H43N3O5S/c1-4-5-11-23-30(28,29)14-19(25)20(26)18(13-16-9-7-6-8-10-16)24-21(27)17(22)12-15(2)3/h15-20,23,25-26H,4-14,22H2,1-3H3,(H,24,27)/t17-,18-,19-,20+/m0/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+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281221
(CHEMBL94013 | N-((1S,2R,3R)-4-Butylsulfamoyl-1-cyc...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(C)=O Show InChI InChI=1S/C17H34N2O5S/c1-3-4-10-18-25(23,24)12-16(21)17(22)15(19-13(2)20)11-14-8-6-5-7-9-14/h14-18,21-22H,3-12H2,1-2H3,(H,19,20)/t15-,16-,17+/m0/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+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281243
((S)-2-Hydroxy-4-methyl-pentanoic acid ((1S,2R,3R)-...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](O)CC(C)C Show InChI InChI=1S/C21H42N2O6S/c1-4-5-11-22-30(28,29)14-19(25)20(26)17(13-16-9-7-6-8-10-16)23-21(27)18(24)12-15(2)3/h15-20,22,24-26H,4-14H2,1-3H3,(H,23,27)/t17-,18-,19-,20+/m0/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+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281236
((S)-2-Hydroxy-4-methyl-pentanoic acid ((1S,2R,3S)-...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](O)CC(C)C Show InChI InChI=1S/C21H42N2O6S/c1-4-5-11-22-30(28,29)14-19(25)20(26)17(13-16-9-7-6-8-10-16)23-21(27)18(24)12-15(2)3/h15-20,22,24-26H,4-14H2,1-3H3,(H,23,27)/t17-,18-,19+,20+/m0/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+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281230
(CHEMBL327891 | N-((1S,2R,3R)-4-Butylsulfamoyl-1-cy...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCc1cnc[nH]1 Show InChI InChI=1S/C21H38N4O5S/c1-2-3-11-24-31(29,30)14-19(26)21(28)18(12-16-7-5-4-6-8-16)25-20(27)10-9-17-13-22-15-23-17/h13,15-16,18-19,21,24,26,28H,2-12,14H2,1H3,(H,22,23)(H,25,27)/t18-,19-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281244
((S)-2-Amino-N-[4-((S,R,R)-butylsulfamoyl)-1-cycloh...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cc1cnc[nH]1 Show InChI InChI=1S/C21H39N5O5S/c1-2-3-9-25-32(30,31)13-19(27)20(28)18(10-15-7-5-4-6-8-15)26-21(29)17(22)11-16-12-23-14-24-16/h12,14-15,17-20,25,27-28H,2-11,13,22H2,1H3,(H,23,24)(H,26,29)/t17-,18-,19-,20+/m0/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+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281241
(CHEMBL93587 | N-((1S,2R,3S)-4-Butylsulfamoyl-1-cyc...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCc1cnc[nH]1 Show InChI InChI=1S/C21H38N4O5S/c1-2-3-11-24-31(29,30)14-19(26)21(28)18(12-16-7-5-4-6-8-16)25-20(27)10-9-17-13-22-15-23-17/h13,15-16,18-19,21,24,26,28H,2-12,14H2,1H3,(H,22,23)(H,25,27)/t18-,19+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281235
(CHEMBL90415 | N-((1S,2R,3S)-4-Butylsulfamoyl-1-cyc...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(C)=O Show InChI InChI=1S/C17H34N2O5S/c1-3-4-10-18-25(23,24)12-16(21)17(22)15(19-13(2)20)11-14-8-6-5-7-9-14/h14-18,21-22H,3-12H2,1-2H3,(H,19,20)/t15-,16+,17+/m0/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+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281224
(4-Methyl-pentanoic acid ((1S,2R,3R)-4-butylsulfamo...)Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(C)C Show InChI InChI=1S/C21H42N2O5S/c1-4-5-13-22-29(27,28)15-19(24)21(26)18(14-17-9-7-6-8-10-17)23-20(25)12-11-16(2)3/h16-19,21-22,24,26H,4-15H2,1-3H3,(H,23,25)/t18-,19-,21+/m0/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+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281228
(4-Methyl-pentanoic acid ((1S,2R,3S)-4-butylsulfamo...)Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(C)C Show InChI InChI=1S/C21H42N2O5S/c1-4-5-13-22-29(27,28)15-19(24)21(26)18(14-17-9-7-6-8-10-17)23-20(25)12-11-16(2)3/h16-19,21-22,24,26H,4-15H2,1-3H3,(H,23,25)/t18-,19+,21+/m0/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+6 | n/a | n/a | n/a | n/a | 7.0 | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7 |
Bioorg Med Chem Lett 3: 2739-2744 (1993)
Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2 |
More data for this
Ligand-Target Pair | |
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