Found 61 hits with Last Name = 'brennan' and Initial = 't' 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 |
|---|
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283355
(CHEMBL311418 | {(S)-1-[3-(Benzyl-methyl-carbamoyl)...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C39H41F2N3O6/c1-27(2)34(43-38(48)50-26-31-17-11-6-12-18-31)36(46)42-33(23-28-19-21-32(22-20-28)49-25-30-15-9-5-10-16-30)35(45)39(40,41)37(47)44(3)24-29-13-7-4-8-14-29/h4-22,27,33-34H,23-26H2,1-3H3,(H,42,46)(H,43,48)/t33?,34-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283358
(CHEMBL79799 | [(S)-1-(1-Benzyl-3-benzylcarbamoyl-3...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H33F2N3O5/c1-21(2)26(36-30(40)41-20-24-16-10-5-11-17-24)28(38)35-25(18-22-12-6-3-7-13-22)27(37)31(32,33)29(39)34-19-23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,34,39)(H,35,38)(H,36,40)/t25?,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50037811
(CHEMBL123016 | {(S)-1-[(S)-3-Benzylcarbamoyl-1-(4-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C38H39F2N3O6/c1-26(2)33(43-37(47)49-25-30-16-10-5-11-17-30)35(45)42-32(34(44)38(39,40)36(46)41-23-28-12-6-3-7-13-28)22-27-18-20-31(21-19-27)48-24-29-14-8-4-9-15-29/h3-21,26,32-33H,22-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)/t32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound was determined against HIV-1 protease |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50037811
(CHEMBL123016 | {(S)-1-[(S)-3-Benzylcarbamoyl-1-(4-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C38H39F2N3O6/c1-26(2)33(43-37(47)49-25-30-16-10-5-11-17-30)35(45)42-32(34(44)38(39,40)36(46)41-23-28-12-6-3-7-13-28)22-27-18-20-31(21-19-27)48-24-29-14-8-4-9-15-29/h3-21,26,32-33H,22-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)/t32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283362
(CHEMBL311049 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N1CCOCC1 Show InChI InChI=1S/C35H39F2N3O7/c1-24(2)30(39-34(44)47-23-27-11-7-4-8-12-27)32(42)38-29(31(41)35(36,37)33(43)40-17-19-45-20-18-40)21-25-13-15-28(16-14-25)46-22-26-9-5-3-6-10-26/h3-16,24,29-30H,17-23H2,1-2H3,(H,38,42)(H,39,44)/t29?,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282534
(CHEMBL21095 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((R...)Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound was determined against HIV-1 protease |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283359
(CHEMBL83002 | [(S)-1-(1-Benzyl-3,3-difluoro-4-morp...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H33F2N3O6/c1-19(2)23(32-27(37)39-18-21-11-7-4-8-12-21)25(35)31-22(17-20-9-5-3-6-10-20)24(34)28(29,30)26(36)33-13-15-38-16-14-33/h3-12,19,22-23H,13-18H2,1-2H3,(H,31,35)(H,32,37)/t22?,23-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
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 | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282525
(CHEMBL283537 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C46H47F2N3O7/c1-32(2)41(51-45(55)58-30-36-19-11-5-12-20-36)43(53)49-39(27-33-23-25-38(26-24-33)57-29-35-17-9-4-10-18-35)42(52)46(47,48)44(54)50-40(37-21-13-6-14-22-37)31-56-28-34-15-7-3-8-16-34/h3-26,32,39-41H,27-31H2,1-2H3,(H,49,53)(H,50,54)(H,51,55)/t39?,40-,41-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
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 | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282527
(CHEMBL280358 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)C[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H51F2N3O7/c1-30(2)24-36(29-54-26-33-14-8-5-9-15-33)47-42(52)44(45,46)40(50)38(25-32-20-22-37(23-21-32)55-27-34-16-10-6-11-17-34)48-41(51)39(31(3)4)49-43(53)56-28-35-18-12-7-13-19-35/h5-23,30-31,36,38-39H,24-29H2,1-4H3,(H,47,52)(H,48,51)(H,49,53)/t36-,38?,39+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283364
(CHEMBL314234 | {(S)-1-[1-(4-Benzyloxy-benzyl)-4-(3...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C40H41F2N3O6/c1-27(2)35(44-39(49)51-26-30-13-7-4-8-14-30)37(47)43-34(23-28-17-19-33(20-18-28)50-25-29-11-5-3-6-12-29)36(46)40(41,42)38(48)45-22-21-31-15-9-10-16-32(31)24-45/h3-20,27,34-35H,21-26H2,1-2H3,(H,43,47)(H,44,49)/t34?,35-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282526
(CHEMBL20642 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-d...)Show SMILES CC(C)C(NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C36H41F2N3O7/c1-23(2)30(20-42)40-34(45)36(37,38)32(43)29(19-25-15-17-28(18-16-25)47-21-26-11-7-5-8-12-26)39-33(44)31(24(3)4)41-35(46)48-22-27-13-9-6-10-14-27/h5-18,20,23-24,29-31H,19,21-22H2,1-4H3,(H,39,44)(H,40,45)(H,41,46)/t29?,30?,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
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 | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282538
((R)-2-[4-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@@H](NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C36H41F2N3O8/c1-22(2)29(41-35(47)49-21-26-13-9-6-10-14-26)32(43)39-28(31(42)36(37,38)34(46)40-30(23(3)4)33(44)45)19-24-15-17-27(18-16-24)48-20-25-11-7-5-8-12-25/h5-18,22-23,28-30H,19-21H2,1-4H3,(H,39,43)(H,40,46)(H,41,47)(H,44,45)/t28?,29-,30+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282529
(CHEMBL19752 | {(S)-1-[(R)-1-(4-Benzyloxy-benzyl)-3...)Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)[C@H](O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H51F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-39,49H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38-,39+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282535
(CHEMBL19973 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-d...)Show SMILES CC(C)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C34H39F2N3O6/c1-22(2)29(39-33(43)45-21-26-13-9-6-10-14-26)31(41)38-28(30(40)34(35,36)32(42)37-23(3)4)19-24-15-17-27(18-16-24)44-20-25-11-7-5-8-12-25/h5-18,22-23,28-29H,19-21H2,1-4H3,(H,37,42)(H,38,41)(H,39,43)/t28?,29-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282537
(CHEMBL264739 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-...)Show SMILES CC(C)CNC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C35H41F2N3O6/c1-23(2)20-38-33(43)35(36,37)31(41)29(19-25-15-17-28(18-16-25)45-21-26-11-7-5-8-12-26)39-32(42)30(24(3)4)40-34(44)46-22-27-13-9-6-10-14-27/h5-18,23-24,29-30H,19-22H2,1-4H3,(H,38,43)(H,39,42)(H,40,44)/t29?,30-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282528
((R)-2-[4-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N[C@H](C(C)C)C(=O)OC(C)(C)C Show InChI InChI=1S/C40H49F2N3O8/c1-25(2)32(45-38(50)52-24-29-16-12-9-13-17-29)35(47)43-31(22-27-18-20-30(21-19-27)51-23-28-14-10-8-11-15-28)34(46)40(41,42)37(49)44-33(26(3)4)36(48)53-39(5,6)7/h8-21,25-26,31-33H,22-24H2,1-7H3,(H,43,47)(H,44,49)(H,45,50)/t31?,32-,33+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283357
(CHEMBL82829 | {[3-Benzylcarbamoyl-1-(4-benzyloxy-b...)Show SMILES FC(F)(C(=O)NCc1ccccc1)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(NC(=O)OCc1ccccc1)C1CCCC1 Show InChI InChI=1S/C40H41F2N3O6/c41-40(42,38(48)43-25-29-12-4-1-5-13-29)36(46)34(24-28-20-22-33(23-21-28)50-26-30-14-6-2-7-15-30)44-37(47)35(32-18-10-11-19-32)45-39(49)51-27-31-16-8-3-9-17-31/h1-9,12-17,20-23,32,34-35H,10-11,18-19,24-27H2,(H,43,48)(H,44,47)(H,45,49) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282531
(CHEMBL278084 | {(S)-1-[(S)-1-(4-Benzyloxy-benzyl)-...)Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)[C@@H](O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H51F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-39,49H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38-,39-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283361
(5-(4-Benzyloxy-phenyl)-2,2-difluoro-4-[(S)-3-methy...)Show SMILES CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C38H40F2N4O5/c1-26(2)34(44-33(45)20-17-29-14-9-21-41-23-29)36(47)43-32(35(46)38(39,40)37(48)42-24-28-10-5-3-6-11-28)22-27-15-18-31(19-16-27)49-25-30-12-7-4-8-13-30/h3-16,18-19,21,23,26,32,34H,17,20,22,24-25H2,1-2H3,(H,42,48)(H,43,47)(H,44,45)/t32?,34-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282530
(CHEMBL20135 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3,3-d...)Show SMILES CC(C)[C@H](CCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O6/c1-29(2)36(25-22-31-14-8-5-9-15-31)47-41(51)43(44,45)39(49)37(26-32-20-23-35(24-21-32)53-27-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)54-28-34-18-12-7-13-19-34/h5-21,23-24,29-30,36-38H,22,25-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36-,37?,38-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283356
(CHEMBL309464 | {(S)-1-[3-Benzylcarbamoyl-1-(4-benz...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C39H41F2N3O6/c1-27(2)22-34(44-38(48)50-26-31-16-10-5-11-17-31)36(46)43-33(35(45)39(40,41)37(47)42-24-29-12-6-3-7-13-29)23-28-18-20-32(21-19-28)49-25-30-14-8-4-9-15-30/h3-21,27,33-34H,22-26H2,1-2H3,(H,42,47)(H,43,46)(H,44,48)/t33?,34-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283354
(CHEMBL79345 | {(S)-1-[3-(Benzyl-ethyl-carbamoyl)-1...)Show SMILES CCN(Cc1ccccc1)C(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C40H43F2N3O6/c1-4-45(25-30-14-8-5-9-15-30)38(48)40(41,42)36(46)34(24-29-20-22-33(23-21-29)50-26-31-16-10-6-11-17-31)43-37(47)35(28(2)3)44-39(49)51-27-32-18-12-7-13-19-32/h5-23,28,34-35H,4,24-27H2,1-3H3,(H,43,47)(H,44,49)/t34?,35-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
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 | |
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) | 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 | |
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 | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282532
(CHEMBL280398 | {(S)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)[C@@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
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 | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283363
(CHEMBL312809 | {(S)-1-[1-Benzyl-4-(3,4-dihydro-1H-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C33H35F2N3O5/c1-22(2)28(37-32(42)43-21-24-13-7-4-8-14-24)30(40)36-27(19-23-11-5-3-6-12-23)29(39)33(34,35)31(41)38-18-17-25-15-9-10-16-26(25)20-38/h3-16,22,27-28H,17-21H2,1-2H3,(H,36,40)(H,37,42)/t27?,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50282533
(CHEMBL262702 | {(R)-1-[1-(4-Benzyloxy-benzyl)-3-((...)Show SMILES CC(C)[C@H](COCc1ccccc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H49F2N3O7/c1-29(2)37(28-53-25-32-14-8-5-9-15-32)47-41(51)43(44,45)39(49)36(24-31-20-22-35(23-21-31)54-26-33-16-10-6-11-17-33)46-40(50)38(30(3)4)48-42(52)55-27-34-18-12-7-13-19-34/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,46,50)(H,47,51)(H,48,52)/t36?,37-,38+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HIV-1 protease. |
Bioorg Med Chem Lett 4: 1213-1218 (1994)
Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50283353
(CHEMBL81135 | {[3-Benzylcarbamoyl-1-(4-benzyloxy-b...)Show SMILES FC(F)(C(=O)NCc1ccccc1)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(NC(=O)OCc1ccccc1)C1CCCCC1 Show InChI InChI=1S/C41H43F2N3O6/c42-41(43,39(49)44-26-30-13-5-1-6-14-30)37(47)35(25-29-21-23-34(24-22-29)51-27-31-15-7-2-8-16-31)45-38(48)36(33-19-11-4-12-20-33)46-40(50)52-28-32-17-9-3-10-18-32/h1-3,5-10,13-18,21-24,33,35-36H,4,11-12,19-20,25-28H2,(H,44,49)(H,45,48)(H,46,50) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro |
Bioorg Med Chem Lett 4: 241-246 (1994)
Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF |
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 | |
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 | |
Search and Browse
