Found 76 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)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50066150
(CHEMBL3401537)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(C)C |r| Show InChI InChI=1S/C32H41N3O7S/c1-23(2)35(32(36)24-11-16-30(40-4)31(19-24)41-18-8-17-39-3)22-25-20-33-21-29(25)34-43(37,38)28-14-12-27(13-15-28)42-26-9-6-5-7-10-26/h5-7,9-16,19,23,25,29,33-34H,8,17-18,20-22H2,1-4H3/t25-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066149
(CHEMBL3401538)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C |r| Show InChI InChI=1S/C27H36F3N3O7S/c1-18(2)33(26(34)19-6-11-24(38-4)25(14-19)39-13-5-12-37-3)17-20-15-31-16-23(20)32-41(35,36)22-9-7-21(8-10-22)40-27(28,29)30/h6-11,14,18,20,23,31-32H,5,12-13,15-17H2,1-4H3/t20-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066156
(CHEMBL3400457)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CC1CCCC1)C(C)C |r| Show InChI InChI=1S/C26H43N3O6S/c1-19(2)29(26(30)21-10-11-24(34-4)25(14-21)35-13-7-12-33-3)17-22-15-27-16-23(22)28-36(31,32)18-20-8-5-6-9-20/h10-11,14,19-20,22-23,27-28H,5-9,12-13,15-18H2,1-4H3/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066161
(CHEMBL3400452)Show SMILES CC[C@@H](OC(=O)N[C@@H]1CNC[C@H]1CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1)c1ccccc1 |r| Show InChI InChI=1S/C30H43N3O6/c1-6-26(22-11-8-7-9-12-22)39-30(35)32-25-19-31-18-24(25)20-33(21(2)3)29(34)23-13-14-27(37-5)28(17-23)38-16-10-15-36-4/h7-9,11-14,17,21,24-26,31H,6,10,15-16,18-20H2,1-5H3,(H,32,35)/t24-,25+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066272
(CHEMBL3401540)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H41N3O6S/c1-21(2)31(28(32)23-11-12-26(36-4)27(17-23)37-15-8-14-35-3)20-24-18-29-19-25(24)30-38(33,34)16-13-22-9-6-5-7-10-22/h5-7,9-12,17,21,24-25,29-30H,8,13-16,18-20H2,1-4H3/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066235
(CHEMBL3400449)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCC1CCCCC1)C(C)C |r| Show InChI InChI=1S/C28H45N3O6/c1-20(2)31(27(32)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-29-17-24(23)30-28(33)37-19-21-9-6-5-7-10-21/h11-12,15,20-21,23-24,29H,5-10,13-14,16-19H2,1-4H3,(H,30,33)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066157
(CHEMBL3400456)Show SMILES CCCS(=O)(=O)N[C@@H]1CNC[C@H]1CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C23H39N3O6S/c1-6-12-33(28,29)25-20-15-24-14-19(20)16-26(17(2)3)23(27)18-8-9-21(31-5)22(13-18)32-11-7-10-30-4/h8-9,13,17,19-20,24-25H,6-7,10-12,14-16H2,1-5H3/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066155
(CHEMBL3400458)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CC1CCCCC1)C(C)C |r| Show InChI InChI=1S/C27H45N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h11-12,15,20-21,23-24,28-29H,5-10,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066181
(CHEMBL3400450)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-29-17-24(23)30-28(33)37-19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066247
(CHEMBL3400448)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OC1CCCCC1)C(C)C |r| Show InChI InChI=1S/C27H43N3O6/c1-19(2)30(26(31)20-11-12-24(34-4)25(15-20)35-14-8-13-33-3)18-21-16-28-17-23(21)29-27(32)36-22-9-6-5-7-10-22/h11-12,15,19,21-23,28H,5-10,13-14,16-18H2,1-4H3,(H,29,32)/t21-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066273
(CHEMBL3401539)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C30H39N3O6S/c1-21(2)33(30(34)24-11-13-28(38-4)29(17-24)39-15-7-14-37-3)20-25-18-31-19-27(25)32-40(35,36)26-12-10-22-8-5-6-9-23(22)16-26/h5-6,8-13,16-17,21,25,27,31-32H,7,14-15,18-20H2,1-4H3/t25-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066160
(CHEMBL3400453)Show SMILES CC[C@H](OC(=O)N[C@@H]1CNC[C@H]1CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1)c1ccccc1 |r| Show InChI InChI=1S/C30H43N3O6/c1-6-26(22-11-8-7-9-12-22)39-30(35)32-25-19-31-18-24(25)20-33(21(2)3)29(34)23-13-14-27(37-5)28(17-23)38-16-10-15-36-4/h7-9,11-14,17,21,24-26,31H,6,10,15-16,18-20H2,1-5H3,(H,32,35)/t24-,25+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066270
(CHEMBL3401543)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1N(C)S(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H41N3O6S/c1-21(2)31(28(32)23-12-13-26(36-5)27(16-23)37-15-9-14-35-4)19-24-17-29-18-25(24)30(3)38(33,34)20-22-10-7-6-8-11-22/h6-8,10-13,16,21,24-25,29H,9,14-15,17-20H2,1-5H3/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066235
(CHEMBL3400449)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCC1CCCCC1)C(C)C |r| Show InChI InChI=1S/C28H45N3O6/c1-20(2)31(27(32)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-29-17-24(23)30-28(33)37-19-21-9-6-5-7-10-21/h11-12,15,20-21,23-24,29H,5-10,13-14,16-19H2,1-4H3,(H,30,33)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066154
(CHEMBL3400459)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CC1CCOCC1)C(C)C |r| Show InChI InChI=1S/C26H43N3O7S/c1-19(2)29(26(30)21-6-7-24(34-4)25(14-21)36-11-5-10-33-3)17-22-15-27-16-23(22)28-37(31,32)18-20-8-12-35-13-9-20/h6-7,14,19-20,22-23,27-28H,5,8-13,15-18H2,1-4H3/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066159
(CHEMBL3400454)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H40N4O5/c1-20(2)32(27(33)22-11-12-25(36-4)26(15-22)37-14-8-13-35-3)19-23-17-29-18-24(23)31-28(34)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,29H,8,13-14,16-19H2,1-4H3,(H2,30,31,34)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066181
(CHEMBL3400450)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-29-17-24(23)30-28(33)37-19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066153
(CHEMBL3400460)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(C)cc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-19(2)30(27(31)21-9-12-25(35-5)26(15-21)36-14-6-13-34-4)18-22-16-28-17-24(22)29-37(32,33)23-10-7-20(3)8-11-23/h7-12,15,19,22,24,28-29H,6,13-14,16-18H2,1-5H3/t22-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50066250
(CHEMBL3400445)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)CCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C29H41N3O5/c1-21(2)32(29(34)23-12-13-26(36-4)27(17-23)37-16-8-15-35-3)20-24-18-30-19-25(24)31-28(33)14-11-22-9-6-5-7-10-22/h5-7,9-10,12-13,17,21,24-25,30H,8,11,14-16,18-20H2,1-4H3,(H,31,33)/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066258
(CHEMBL3400437)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Nc1ccc2nc[nH]c2c1)C(C)C |r| Show InChI InChI=1S/C27H37N5O4/c1-18(2)32(27(33)19-6-9-25(35-4)26(12-19)36-11-5-10-34-3)16-20-14-28-15-24(20)31-21-7-8-22-23(13-21)30-17-29-22/h6-9,12-13,17-18,20,24,28,31H,5,10-11,14-16H2,1-4H3,(H,29,30)/t20-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066248
(CHEMBL3400447)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)Oc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H37N3O6/c1-19(2)30(26(31)20-11-12-24(34-4)25(15-20)35-14-8-13-33-3)18-21-16-28-17-23(21)29-27(32)36-22-9-6-5-7-10-22/h5-7,9-12,15,19,21,23,28H,8,13-14,16-18H2,1-4H3,(H,29,32)/t21-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066158
(CHEMBL3400455)Show SMILES CCN(Cc1ccccc1)C(=O)N[C@@H]1CNC[C@H]1CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C30H44N4O5/c1-6-33(20-23-11-8-7-9-12-23)30(36)32-26-19-31-18-25(26)21-34(22(2)3)29(35)24-13-14-27(38-5)28(17-24)39-16-10-15-37-4/h7-9,11-14,17,22,25-26,31H,6,10,15-16,18-21H2,1-5H3,(H,32,36)/t25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50427564
(CHEMBL2322611)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50066251
(CHEMBL3400444)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O5/c1-20(2)31(28(33)22-11-12-25(35-4)26(16-22)36-14-8-13-34-3)19-23-17-29-18-24(23)30-27(32)15-21-9-6-5-7-10-21/h5-7,9-12,16,20,23-24,29H,8,13-15,17-19H2,1-4H3,(H,30,32)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066151
(CHEMBL3401536)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(OC)cc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O7S/c1-19(2)30(27(31)20-7-12-25(36-5)26(15-20)37-14-6-13-34-3)18-21-16-28-17-24(21)29-38(32,33)23-10-8-22(35-4)9-11-23/h7-12,15,19,21,24,28-29H,6,13-14,16-18H2,1-5H3/t21-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066257
(CHEMBL3400438)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Nc1ccc2OCCNc2c1)C(C)C |r| Show InChI InChI=1S/C28H40N4O5/c1-19(2)32(28(33)20-6-8-26(35-4)27(14-20)36-12-5-11-34-3)18-21-16-29-17-24(21)31-22-7-9-25-23(15-22)30-10-13-37-25/h6-9,14-15,19,21,24,29-31H,5,10-13,16-18H2,1-4H3/t21-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066175
(CHEMBL3400451)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1N(C)C(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C29H41N3O6/c1-21(2)32(28(33)23-12-13-26(36-5)27(16-23)37-15-9-14-35-4)19-24-17-30-18-25(24)31(3)29(34)38-20-22-10-7-6-8-11-22/h6-8,10-13,16,21,24-25,30H,9,14-15,17-20H2,1-5H3/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066250
(CHEMBL3400445)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)CCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C29H41N3O5/c1-21(2)32(29(34)23-12-13-26(36-4)27(17-23)37-16-8-15-35-3)20-24-18-30-19-25(24)31-28(33)14-11-22-9-6-5-7-10-22/h5-7,9-10,12-13,17,21,24-25,30H,8,11,14-16,18-20H2,1-4H3,(H,31,33)/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066261
(CHEMBL3400434)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H41N3O4/c1-21(2)31(20-24-18-29-19-25(24)30-14-13-22-9-6-5-7-10-22)28(32)23-11-12-26(34-4)27(17-23)35-16-8-15-33-3/h5-7,9-12,17,21,24-25,29-30H,8,13-16,18-20H2,1-4H3/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066271
(CHEMBL3401542)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066249
(CHEMBL3400446)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OC(C)C)C(C)C |r| Show InChI InChI=1S/C24H39N3O6/c1-16(2)27(15-19-13-25-14-20(19)26-24(29)33-17(3)4)23(28)18-8-9-21(31-6)22(12-18)32-11-7-10-30-5/h8-9,12,16-17,19-20,25H,7,10-11,13-15H2,1-6H3,(H,26,29)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066264
(CHEMBL3400431)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O4/c1-20(2)30(19-23-17-28-18-24(23)29-16-21-9-6-5-7-10-21)27(31)22-11-12-25(33-4)26(15-22)34-14-8-13-32-3/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066149
(CHEMBL3401538)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C |r| Show InChI InChI=1S/C27H36F3N3O7S/c1-18(2)33(26(34)19-6-11-24(38-4)25(14-19)39-13-5-12-37-3)17-20-15-31-16-23(20)32-41(35,36)22-9-7-21(8-10-22)40-27(28,29)30/h6-11,14,18,20,23,31-32H,5,12-13,15-17H2,1-4H3/t20-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066253
(CHEMBL3400442)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)CC1CCCCC1)C(C)C |r| Show InChI InChI=1S/C28H45N3O5/c1-20(2)31(28(33)22-11-12-25(35-4)26(16-22)36-14-8-13-34-3)19-23-17-29-18-24(23)30-27(32)15-21-9-6-5-7-10-21/h11-12,16,20-21,23-24,29H,5-10,13-15,17-19H2,1-4H3,(H,30,32)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066252
(CHEMBL3400443)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)CC1CCOCC1)C(C)C |r| Show InChI InChI=1S/C27H43N3O6/c1-19(2)30(27(32)21-6-7-24(34-4)25(15-21)36-11-5-10-33-3)18-22-16-28-17-23(22)29-26(31)14-20-8-12-35-13-9-20/h6-7,15,19-20,22-23,28H,5,8-14,16-18H2,1-4H3,(H,29,31)/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066152
(CHEMBL3400461)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1cccc(OC)c1)C(C)C |r| Show InChI InChI=1S/C27H39N3O7S/c1-19(2)30(27(31)20-10-11-25(36-5)26(14-20)37-13-7-12-34-3)18-21-16-28-17-24(21)29-38(32,33)23-9-6-8-22(15-23)35-4/h6,8-11,14-15,19,21,24,28-29H,7,12-13,16-18H2,1-5H3/t21-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066266
(CHEMBL3400429)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC1CCCCC1)C(C)C |r| Show InChI InChI=1S/C26H43N3O4/c1-19(2)29(18-21-16-27-17-23(21)28-22-9-6-5-7-10-22)26(30)20-11-12-24(32-4)25(15-20)33-14-8-13-31-3/h11-12,15,19,21-23,27-28H,5-10,13-14,16-18H2,1-4H3/t21-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066267
(CHEMBL3400428)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC1CCC1)C(C)C |r| Show InChI InChI=1S/C24H39N3O4/c1-17(2)27(16-19-14-25-15-21(19)26-20-7-5-8-20)24(28)18-9-10-22(30-4)23(13-18)31-12-6-11-29-3/h9-10,13,17,19-21,25-26H,5-8,11-12,14-16H2,1-4H3/t19-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066265
(CHEMBL3400430)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCC1CCCC1)C(C)C |r| Show InChI InChI=1S/C26H43N3O4/c1-19(2)29(18-22-16-27-17-23(22)28-15-20-8-5-6-9-20)26(30)21-10-11-24(32-4)25(14-21)33-13-7-12-31-3/h10-11,14,19-20,22-23,27-28H,5-9,12-13,15-18H2,1-4H3/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066150
(CHEMBL3401537)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(C)C |r| Show InChI InChI=1S/C32H41N3O7S/c1-23(2)35(32(36)24-11-16-30(40-4)31(19-24)41-18-8-17-39-3)22-25-20-33-21-29(25)34-43(37,38)28-14-12-27(13-15-28)42-26-9-6-5-7-10-26/h5-7,9-16,19,23,25,29,33-34H,8,17-18,20-22H2,1-4H3/t25-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066256
(CHEMBL3400439)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)C1CCCCC1)C(C)C |r| Show InChI InChI=1S/C27H43N3O5/c1-19(2)30(18-22-16-28-17-23(22)29-26(31)20-9-6-5-7-10-20)27(32)21-11-12-24(34-4)25(15-21)35-14-8-13-33-3/h11-12,15,19-20,22-23,28H,5-10,13-14,16-18H2,1-4H3,(H,29,31)/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066263
(CHEMBL3400432)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1N(C)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H41N3O4/c1-21(2)31(20-24-17-29-18-25(24)30(3)19-22-10-7-6-8-11-22)28(32)23-12-13-26(34-5)27(16-23)35-15-9-14-33-4/h6-8,10-13,16,21,24-25,29H,9,14-15,17-20H2,1-5H3/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066268
(CHEMBL3400427)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(C)C)C(C)C |r| Show InChI InChI=1S/C23H39N3O4/c1-16(2)25-20-14-24-13-19(20)15-26(17(3)4)23(27)18-8-9-21(29-6)22(12-18)30-11-7-10-28-5/h8-9,12,16-17,19-20,24-25H,7,10-11,13-15H2,1-6H3/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human mu opioid receptor |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066259
(CHEMBL3400436)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@H]1CNC[C@@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066255
(CHEMBL3400440)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)C1CCOCC1)C(C)C |r| Show InChI InChI=1S/C26H41N3O6/c1-18(2)29(17-21-15-27-16-22(21)28-25(30)19-8-12-34-13-9-19)26(31)20-6-7-23(33-4)24(14-20)35-11-5-10-32-3/h6-7,14,18-19,21-22,27H,5,8-13,15-17H2,1-4H3,(H,28,30)/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using DBF fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066254
(CHEMBL3400441)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H37N3O5/c1-19(2)30(18-22-16-28-17-23(22)29-26(31)20-9-6-5-7-10-20)27(32)21-11-12-24(34-4)25(15-21)35-14-8-13-33-3/h5-7,9-12,15,19,22-23,28H,8,13-14,16-18H2,1-4H3,(H,29,31)/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50427566
(CHEMBL2322894)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@H]1CNC[C@@H]1Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066250
(CHEMBL3400445)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)CCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C29H41N3O5/c1-21(2)32(29(34)23-12-13-26(36-4)27(17-23)37-16-8-15-35-3)20-24-18-30-19-25(24)31-28(33)14-11-22-9-6-5-7-10-22/h5-7,9-10,12-13,17,21,24-25,30H,8,11,14-16,18-20H2,1-4H3,(H,31,33)/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066235
(CHEMBL3400449)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCC1CCCCC1)C(C)C |r| Show InChI InChI=1S/C28H45N3O6/c1-20(2)31(27(32)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-29-17-24(23)30-28(33)37-19-21-9-6-5-7-10-21/h11-12,15,20-21,23-24,29H,5-10,13-14,16-19H2,1-4H3,(H,30,33)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066235
(CHEMBL3400449)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCC1CCCCC1)C(C)C |r| Show InChI InChI=1S/C28H45N3O6/c1-20(2)31(27(32)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-29-17-24(23)30-28(33)37-19-21-9-6-5-7-10-21/h11-12,15,20-21,23-24,29H,5-10,13-14,16-19H2,1-4H3,(H,30,33)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using DBF fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50066262
(CHEMBL3400433)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(C)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H41N3O4/c1-20(2)31(19-24-17-29-18-25(24)30-21(3)22-10-7-6-8-11-22)28(32)23-12-13-26(34-5)27(16-23)35-15-9-14-33-4/h6-8,10-13,16,20-21,24-25,29-30H,9,14-15,17-19H2,1-5H3/t21?,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066181
(CHEMBL3400450)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-29-17-24(23)30-28(33)37-19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Pepsin A-5
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human pepsin A |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human BACE2 |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cathepsin E
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin E |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Gastricsin
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human pepsin C |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066255
(CHEMBL3400440)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)C1CCOCC1)C(C)C |r| Show InChI InChI=1S/C26H41N3O6/c1-18(2)29(17-21-15-27-16-22(21)28-25(30)19-8-12-34-13-9-19)26(31)20-6-7-23(33-4)24(14-20)35-11-5-10-32-3/h6-7,14,18-19,21-22,27H,5,8-13,15-17H2,1-4H3,(H,28,30)/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using DBF fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066252
(CHEMBL3400443)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)CC1CCOCC1)C(C)C |r| Show InChI InChI=1S/C27H43N3O6/c1-19(2)30(27(32)21-6-7-24(34-4)25(15-21)36-11-5-10-33-3)18-22-16-28-17-23(22)29-26(31)14-20-8-12-35-13-9-20/h6-7,15,19-20,22-23,28H,5,8-14,16-18H2,1-4H3,(H,29,31)/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using DBF fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50066260
(CHEMBL3400435)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066154
(CHEMBL3400459)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CC1CCOCC1)C(C)C |r| Show InChI InChI=1S/C26H43N3O7S/c1-19(2)29(26(30)21-6-7-24(34-4)25(14-21)36-11-5-10-33-3)17-22-15-27-16-23(22)28-37(31,32)18-20-8-12-35-13-9-20/h6-7,14,19-20,22-23,27-28H,5,8-13,15-18H2,1-4H3/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using DBF fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066181
(CHEMBL3400450)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-29-17-24(23)30-28(33)37-19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using DBF fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50066269
(CHEMBL3401541)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using DBF fluorometric substrate |
Bioorg Med Chem Lett 25: 1782-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX |
More data for this
Ligand-Target Pair | |
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