Found 32 hits with Last Name = 'skeean' and Initial = 'rw' 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)) | BDBM50012250
(CHEMBL58947 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COC(=O)CC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C32H52N4O9S/c1-22(2)18-28(37)30(39)25(19-23-10-6-4-7-11-23)33-31(40)26(21-29(38)44-3)34-32(41)27(20-24-12-8-5-9-13-24)35-46(42,43)36-14-16-45-17-15-36/h5,8-9,12-13,22-23,25-28,30,35,37,39H,4,6-7,10-11,14-21H2,1-3H3,(H,33,40)(H,34,41)/t25-,26?,27-,28+,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012246
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/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 | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012246
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/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 | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50282993
((2S,4R)-4-Cyclohexyl-2-hydroxy-3-((R)-3-methylsulf...)Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C Show InChI InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012251
(2-{2-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C36H55N7O10S/c1-23(2)17-30(44)32(45)27(18-24-9-5-3-6-10-24)39-34(47)31(35(48)40-29(36(49)50)20-26-21-37-22-38-26)41-33(46)28(19-25-11-7-4-8-12-25)42-54(51,52)43-13-15-53-16-14-43/h4,7-8,11-12,21-24,27-32,42,44-45H,3,5-6,9-10,13-20H2,1-2H3,(H,37,38)(H,39,47)(H,40,48)(H,41,46)(H,49,50)/t27-,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 | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012246
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012249
(CHEMBL58256 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)OC(C)C Show InChI InChI=1S/C33H54N4O9S/c1-22(2)19-28(38)30(39)26(20-24-11-7-5-8-12-24)34-32(41)29(33(42)46-23(3)4)35-31(40)27(21-25-13-9-6-10-14-25)36-47(43,44)37-15-17-45-18-16-37/h6,9-10,13-14,22-24,26-30,36,38-39H,5,7-8,11-12,15-21H2,1-4H3,(H,34,41)(H,35,40)/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 | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50006202
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)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/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012257
(CHEMBL299252 | N-[1-Cyclohexylmethyl-3,3-difluoro-...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H50F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-28,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,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 | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM17941
((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)Show SMILES CCCCNC(=O)[C@@H](C[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)C(C)C |r| Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50012252
(CHEMBL57492 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)OCC=C Show InChI InChI=1S/C33H52N4O9S/c1-4-17-46-33(42)29(32(41)34-26(21-24-11-7-5-8-12-24)30(39)28(38)20-23(2)3)35-31(40)27(22-25-13-9-6-10-14-25)36-47(43,44)37-15-18-45-19-16-37/h4,6,9-10,13-14,23-24,26-30,36,38-39H,1,5,7-8,11-12,15-22H2,2-3H3,(H,34,41)(H,35,40)/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 | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012247
(4-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl...)Show SMILES COC(=O)CCC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C33H54N4O9S/c1-23(2)20-29(38)31(40)27(21-24-10-6-4-7-11-24)35-32(41)26(14-15-30(39)45-3)34-33(42)28(22-25-12-8-5-9-13-25)36-47(43,44)37-16-18-46-19-17-37/h5,8-9,12-13,23-24,26-29,31,36,38,40H,4,6-7,10-11,14-22H2,1-3H3,(H,34,42)(H,35,41)/t26?,27-,28-,29+,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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012255
(CHEMBL293328 | N-[1-Cyclohexylmethyl-2-hydroxy-3-(...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H54N6O10S/c1-48-34(45)31(37-32(43)28(23-26-10-6-3-7-11-26)38-51(46,47)40-16-20-50-21-17-40)33(44)36-27(22-25-8-4-2-5-9-25)29(41)24-30(42)35-12-13-39-14-18-49-19-15-39/h3,6-7,10-11,25,27-29,31,38,41H,2,4-5,8-9,12-24H2,1H3,(H,35,42)(H,36,44)(H,37,43)/t27-,28-,29-,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 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012253
(CHEMBL56982 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES CCCCCCOC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C36H60N4O9S/c1-4-5-6-13-20-49-36(45)32(35(44)37-29(24-27-14-9-7-10-15-27)33(42)31(41)23-26(2)3)38-34(43)30(25-28-16-11-8-12-17-28)39-50(46,47)40-18-21-48-22-19-40/h8,11-12,16-17,26-27,29-33,39,41-42H,4-7,9-10,13-15,18-25H2,1-3H3,(H,37,44)(H,38,43)/t29-,30-,31+,32?,33+/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50282993
((2S,4R)-4-Cyclohexyl-2-hydroxy-3-((R)-3-methylsulf...)Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C Show InChI InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration on Bovine Cathepsin D |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012250
(CHEMBL58947 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COC(=O)CC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C32H52N4O9S/c1-22(2)18-28(37)30(39)25(19-23-10-6-4-7-11-23)33-31(40)26(21-29(38)44-3)34-32(41)27(20-24-12-8-5-9-13-24)35-46(42,43)36-14-16-45-17-15-36/h5,8-9,12-13,22-23,25-28,30,35,37,39H,4,6-7,10-11,14-21H2,1-3H3,(H,33,40)(H,34,41)/t25-,26?,27-,28+,30+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of Bovine Cathepsin D. |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012254
(CHEMBL60535 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(O)=O Show InChI InChI=1S/C30H48N4O9S/c1-20(2)17-25(35)27(36)23(18-21-9-5-3-6-10-21)31-29(38)26(30(39)40)32-28(37)24(19-22-11-7-4-8-12-22)33-44(41,42)34-13-15-43-16-14-34/h4,7-8,11-12,20-21,23-27,33,35-36H,3,5-6,9-10,13-19H2,1-2H3,(H,31,38)(H,32,37)(H,39,40)/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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012247
(4-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl...)Show SMILES COC(=O)CCC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C33H54N4O9S/c1-23(2)20-29(38)31(40)27(21-24-10-6-4-7-11-24)35-32(41)26(14-15-30(39)45-3)34-33(42)28(22-25-12-8-5-9-13-25)36-47(43,44)37-16-18-46-19-17-37/h5,8-9,12-13,23-24,26-29,31,36,38,40H,4,6-7,10-11,14-22H2,1-3H3,(H,34,42)(H,35,41)/t26?,27-,28-,29+,31+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of Bovine Cathepsin D. |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012246
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012246
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-etorphine as a radioligand |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012249
(CHEMBL58256 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)OC(C)C Show InChI InChI=1S/C33H54N4O9S/c1-22(2)19-28(38)30(39)26(20-24-11-7-5-8-12-24)34-32(41)29(33(42)46-23(3)4)35-31(40)27(21-25-13-9-6-10-14-25)36-47(43,44)37-15-17-45-18-16-37/h6,9-10,13-14,22-24,26-30,36,38-39H,5,7-8,11-12,15-21H2,1-4H3,(H,34,41)(H,35,40)/t26-,27-,28+,29?,30+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of Bovine Cathepsin D. |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012246
(CHEMBL58153 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-30(39)27(31(40)43-3)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26+,27?,28+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of Bovine Cathepsin D. |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012253
(CHEMBL56982 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES CCCCCCOC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C Show InChI InChI=1S/C36H60N4O9S/c1-4-5-6-13-20-49-36(45)32(35(44)37-29(24-27-14-9-7-10-15-27)33(42)31(41)23-26(2)3)38-34(43)30(25-28-16-11-8-12-17-28)39-50(46,47)40-18-21-48-22-19-40/h8,11-12,16-17,26-27,29-33,39,41-42H,4-7,9-10,13-15,18-25H2,1-3H3,(H,37,44)(H,38,43)/t29-,30-,31+,32?,33+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of Bovine Cathepsin D. |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012252
(CHEMBL57492 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)OCC=C Show InChI InChI=1S/C33H52N4O9S/c1-4-17-46-33(42)29(32(41)34-26(21-24-11-7-5-8-12-24)30(39)28(38)20-23(2)3)35-31(40)27(22-25-13-9-6-10-14-25)36-47(43,44)37-15-18-45-19-16-37/h4,6,9-10,13-14,23-24,26-30,36,38-39H,1,5,7-8,11-12,15-22H2,2-3H3,(H,34,41)(H,35,40)/t26-,27-,28+,29?,30+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of Bovine Cathepsin D. |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50012256
(CHEMBL431751 | N-{1-[1-Hydroxy-2-(2-morpholin-4-yl...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCN1CCOCC1 Show InChI InChI=1S/C31H50N6O10S/c1-22(2)19-24(26(38)21-27(39)32-9-10-36-11-15-46-16-12-36)33-30(41)28(31(42)45-3)34-29(40)25(20-23-7-5-4-6-8-23)35-48(43,44)37-13-17-47-18-14-37/h4-8,22,24-26,28,35,38H,9-21H2,1-3H3,(H,32,39)(H,33,41)(H,34,40)/t24-,25-,26-,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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human renin |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012254
(CHEMBL60535 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(O)=O Show InChI InChI=1S/C30H48N4O9S/c1-20(2)17-25(35)27(36)23(18-21-9-5-3-6-10-21)31-29(38)26(30(39)40)32-28(37)24(19-22-11-7-4-8-12-22)33-44(41,42)34-13-15-43-16-14-34/h4,7-8,11-12,20-21,23-27,33,35-36H,3,5-6,9-10,13-19H2,1-2H3,(H,31,38)(H,32,37)(H,39,40)/t23-,24-,25+,26?,27+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of Bovine Cathepsin D. |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012257
(CHEMBL299252 | N-[1-Cyclohexylmethyl-3,3-difluoro-...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H50F2N6O10S/c1-50-32(46)28(39-30(44)27(23-25-10-6-3-7-11-25)40-53(48,49)42-16-20-52-21-17-42)31(45)38-26(22-24-8-4-2-5-9-24)29(43)34(35,36)33(47)37-12-13-41-14-18-51-19-15-41/h3,6-7,10-11,24,26-28,40H,2,4-5,8-9,12-23H2,1H3,(H,37,47)(H,38,45)(H,39,44)/t26-,27-,28?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 515 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration on Bovine Cathepsin D |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50006202
(3-Amino-N-[1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-...)Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)(C)N)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/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of Bovine Cathepsin D. |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012255
(CHEMBL293328 | N-[1-Cyclohexylmethyl-2-hydroxy-3-(...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H54N6O10S/c1-48-34(45)31(37-32(43)28(23-26-10-6-3-7-11-26)38-51(46,47)40-16-20-50-21-17-40)33(44)36-27(22-25-8-4-2-5-9-25)29(41)24-30(42)35-12-13-39-14-18-49-19-15-39/h3,6-7,10-11,25,27-29,31,38,41H,2,4-5,8-9,12-24H2,1H3,(H,35,42)(H,36,44)(H,37,43)/t27-,28-,29-,31?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration on Bovine Cathepsin D |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012256
(CHEMBL431751 | N-{1-[1-Hydroxy-2-(2-morpholin-4-yl...)Show SMILES COC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCN1CCOCC1 Show InChI InChI=1S/C31H50N6O10S/c1-22(2)19-24(26(38)21-27(39)32-9-10-36-11-15-46-16-12-36)33-30(41)28(31(42)45-3)34-29(40)25(20-23-7-5-4-6-8-23)35-48(43,44)37-13-17-47-18-14-37/h4-8,22,24-26,28,35,38H,9-21H2,1-3H3,(H,32,39)(H,33,41)(H,34,40)/t24-,25-,26-,28?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration on Bovine Cathepsin D |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM17941
((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)Show SMILES CCCCNC(=O)[C@@H](C[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)C(C)C |r| Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration on Bovine Cathepsin D |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50012251
(2-{2-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-he...)Show SMILES CC(C)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C36H55N7O10S/c1-23(2)17-30(44)32(45)27(18-24-9-5-3-6-10-24)39-34(47)31(35(48)40-29(36(49)50)20-26-21-37-22-38-26)41-33(46)28(19-25-11-7-4-8-12-25)42-54(51,52)43-13-15-53-16-14-43/h4,7-8,11-12,21-24,27-32,42,44-45H,3,5-6,9-10,13-20H2,1-2H3,(H,37,38)(H,39,47)(H,40,48)(H,41,46)(H,49,50)/t27-,28-,29?,30+,31?,32+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration on Bovine Cathepsin D |
J Med Chem 34: 1935-43 (1991)
BindingDB Entry DOI: 10.7270/Q2NG4R73 |
More data for this
Ligand-Target Pair | |
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