Found 44 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)) | BDBM50065665
(CHEMBL3404004)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1ccccc1-n1cccc1)C(C)C |r| Show InChI InChI=1S/C33H44N4O6/c1-24(2)37(32(38)25-13-14-29(41-5)30(19-25)42-18-10-17-40-4)23-27-20-34-21-31(27)43-33(39)35(3)22-26-11-6-7-12-28(26)36-15-8-9-16-36/h6-9,11-16,19,24,27,31,34H,10,17-18,20-23H2,1-5H3/t27-,31+/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065667
(CHEMBL3404002)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1cccc2OCOc12)C(C)C |r| Show InChI InChI=1S/C30H41N3O8/c1-20(2)33(29(34)21-10-11-24(37-5)26(14-21)38-13-7-12-36-4)18-23-15-31-16-27(23)41-30(35)32(3)17-22-8-6-9-25-28(22)40-19-39-25/h6,8-11,14,20,23,27,31H,7,12-13,15-19H2,1-5H3/t23-,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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in presence of plasma by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50065666
(CHEMBL3404003)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1nc2ccccc2s1)C(C)C |r| Show InChI InChI=1S/C30H40N4O6S/c1-20(2)34(29(35)21-11-12-24(38-5)25(15-21)39-14-8-13-37-4)18-22-16-31-17-26(22)40-30(36)33(3)19-28-32-23-9-6-7-10-27(23)41-28/h6-7,9-12,15,20,22,26,31H,8,13-14,16-19H2,1-5H3/t22-,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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065661
(CHEMBL3404001)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1cccc2ccccc12)C(C)C |r| Show InChI InChI=1S/C33H43N3O6/c1-23(2)36(32(37)25-14-15-29(40-5)30(18-25)41-17-9-16-39-4)22-27-19-34-20-31(27)42-33(38)35(3)21-26-12-8-11-24-10-6-7-13-28(24)26/h6-8,10-15,18,23,27,31,34H,9,16-17,19-22H2,1-5H3/t27-,31+/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 human recombinant renin in presence of plasma by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50065661
(CHEMBL3404001)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1cccc2ccccc12)C(C)C |r| Show InChI InChI=1S/C33H43N3O6/c1-23(2)36(32(37)25-14-15-29(40-5)30(18-25)41-17-9-16-39-4)22-27-19-34-20-31(27)42-33(38)35(3)21-26-12-8-11-24-10-6-7-13-28(24)26/h6-8,10-15,18,23,27,31,34H,9,16-17,19-22H2,1-5H3/t27-,31+/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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065680
(CHEMBL3403988)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(c1)-c1cccc(C)c1)C(C)C |r| Show InChI InChI=1S/C34H44N2O5/c1-24(2)36(34(37)29-13-14-31(39-5)32(19-29)40-16-8-15-38-4)22-30-20-35-21-33(30)41-23-26-10-7-12-28(18-26)27-11-6-9-25(3)17-27/h6-7,9-14,17-19,24,30,33,35H,8,15-16,20-23H2,1-5H3/t30-,33+/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 human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065678
(CHEMBL3403990)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(c1)-c1ccccc1OC)C(C)C |r| Show InChI InChI=1S/C34H44N2O6/c1-24(2)36(34(37)27-14-15-31(40-5)32(19-27)41-17-9-16-38-3)22-28-20-35-21-33(28)42-23-25-10-8-11-26(18-25)29-12-6-7-13-30(29)39-4/h6-8,10-15,18-19,24,28,33,35H,9,16-17,20-23H2,1-5H3/t28-,33+/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 human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065664
(CHEMBL3404005)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1ccccc1N1CCCC1)C(C)C |r| Show InChI InChI=1S/C33H48N4O6/c1-24(2)37(32(38)25-13-14-29(41-5)30(19-25)42-18-10-17-40-4)23-27-20-34-21-31(27)43-33(39)35(3)22-26-11-6-7-12-28(26)36-15-8-9-16-36/h6-7,11-14,19,24,27,31,34H,8-10,15-18,20-23H2,1-5H3/t27-,31+/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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065681
(CHEMBL3403987)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(c1)-n1cccc1)C(C)C |r| Show InChI InChI=1S/C31H41N3O5/c1-23(2)34(31(35)25-11-12-28(37-4)29(18-25)38-16-8-15-36-3)21-26-19-32-20-30(26)39-22-24-9-7-10-27(17-24)33-13-5-6-14-33/h5-7,9-14,17-18,23,26,30,32H,8,15-16,19-22H2,1-4H3/t26-,30+/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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065675
(CHEMBL3403993)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1ccc2ccccc2c1)C(C)C |r| Show InChI InChI=1S/C31H40N2O5/c1-22(2)33(31(34)26-12-13-28(36-4)29(17-26)37-15-7-14-35-3)20-27-18-32-19-30(27)38-21-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27,30,32H,7,14-15,18-21H2,1-4H3/t27-,30+/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 human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065669
(CHEMBL3403999)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccco1)C(C)C |r| Show InChI InChI=1S/C26H37N3O7/c1-18(2)29(25(30)19-8-9-22(33-4)23(13-19)35-12-6-10-32-3)17-20-14-27-16-24(20)36-26(31)28-15-21-7-5-11-34-21/h5,7-9,11,13,18,20,24,27H,6,10,12,14-17H2,1-4H3,(H,28,31)/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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065668
(CHEMBL3404000)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1nccs1)C(C)C |r| Show InChI InChI=1S/C25H36N4O6S/c1-17(2)29(24(30)18-6-7-20(33-4)21(12-18)34-10-5-9-32-3)16-19-13-26-14-22(19)35-25(31)28-15-23-27-8-11-36-23/h6-8,11-12,17,19,22,26H,5,9-10,13-16H2,1-4H3,(H,28,31)/t19-,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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065662
(CHEMBL3403986)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(c1)-c1ccccc1)C(C)C |r| Show InChI InChI=1S/C33H42N2O5/c1-24(2)35(33(36)28-14-15-30(38-4)31(19-28)39-17-9-16-37-3)22-29-20-34-21-32(29)40-23-25-10-8-13-27(18-25)26-11-6-5-7-12-26/h5-8,10-15,18-19,24,29,32,34H,9,16-17,20-23H2,1-4H3/t29-,32+/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 human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065676
(CHEMBL3403992)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc2ccccc12)C(C)C |r| Show InChI InChI=1S/C31H40N2O5/c1-22(2)33(31(34)24-13-14-28(36-4)29(17-24)37-16-8-15-35-3)20-26-18-32-19-30(26)38-21-25-11-7-10-23-9-5-6-12-27(23)25/h5-7,9-14,17,22,26,30,32H,8,15-16,18-21H2,1-4H3/t26-,30+/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 human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065682
(CHEMBL3403985)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(Oc2ccccc2)c1)C(C)C |r| Show InChI InChI=1S/C33H42N2O6/c1-24(2)35(33(36)26-14-15-30(38-4)31(19-26)39-17-9-16-37-3)22-27-20-34-21-32(27)40-23-25-10-8-13-29(18-25)41-28-11-6-5-7-12-28/h5-8,10-15,18-19,24,27,32,34H,9,16-17,20-23H2,1-4H3/t27-,32+/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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065683
(CHEMBL3403984)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(OC)c1)C(C)C |r| Show InChI InChI=1S/C28H40N2O6/c1-20(2)30(28(31)22-10-11-25(34-5)26(15-22)35-13-7-12-32-3)18-23-16-29-17-27(23)36-19-21-8-6-9-24(14-21)33-4/h6,8-11,14-15,20,23,27,29H,7,12-13,16-19H2,1-5H3/t23-,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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065673
(CHEMBL3403994)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)Nc1cccc(OC)c1)C(C)C |r| Show InChI InChI=1S/C28H39N3O7/c1-19(2)31(27(32)20-10-11-24(36-5)25(14-20)37-13-7-12-34-3)18-21-16-29-17-26(21)38-28(33)30-22-8-6-9-23(15-22)35-4/h6,8-11,14-15,19,21,26,29H,7,12-13,16-18H2,1-5H3,(H,30,33)/t21-,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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065671
(CHEMBL3403997)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C29H41N3O6/c1-21(2)32(28(33)23-12-13-25(36-5)26(16-23)37-15-9-14-35-4)20-24-17-30-18-27(24)38-29(34)31(3)19-22-10-7-6-8-11-22/h6-8,10-13,16,21,24,27,30H,9,14-15,17-20H2,1-5H3/t24-,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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065679
(CHEMBL3403989)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(c1)-c1cccc(OC)c1)C(C)C |r| Show InChI InChI=1S/C34H44N2O6/c1-24(2)36(34(37)28-13-14-31(40-5)32(19-28)41-16-8-15-38-3)22-29-20-35-21-33(29)42-23-25-9-6-10-26(17-25)27-11-7-12-30(18-27)39-4/h6-7,9-14,17-19,24,29,33,35H,8,15-16,20-23H2,1-5H3/t29-,33+/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 human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065685
(CHEMBL3403981)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Oc1ccc(cc1)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C27H35F3N2O5/c1-18(2)32(26(33)19-6-11-23(35-4)24(14-19)36-13-5-12-34-3)17-20-15-31-16-25(20)37-22-9-7-21(8-10-22)27(28,29)30/h6-11,14,18,20,25,31H,5,12-13,15-17H2,1-4H3/t20-,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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
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 alpha-adrenoceptor 1A (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065677
(CHEMBL3403991)Show SMILES CCOc1ccccc1-c1cccc(CO[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c2ccc(OC)c(OCCCOC)c2)c1 |r| Show InChI InChI=1S/C35H46N2O6/c1-6-41-31-14-8-7-13-30(31)27-12-9-11-26(19-27)24-43-34-22-36-21-29(34)23-37(25(2)3)35(38)28-15-16-32(40-5)33(20-28)42-18-10-17-39-4/h7-9,11-16,19-20,25,29,34,36H,6,10,17-18,21-24H2,1-5H3/t29-,34+/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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065663
(CHEMBL3403982)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H38N2O5/c1-20(2)29(18-23-16-28-17-26(23)34-19-21-9-6-5-7-10-21)27(30)22-11-12-24(32-4)25(15-22)33-14-8-13-31-3/h5-7,9-12,15,20,23,26,28H,8,13-14,16-19H2,1-4H3/t23-,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 | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065663
(CHEMBL3403982)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H38N2O5/c1-20(2)29(18-23-16-28-17-26(23)34-19-21-9-6-5-7-10-21)27(30)22-11-12-24(32-4)25(15-22)33-14-8-13-31-3/h5-7,9-12,15,20,23,26,28H,8,13-14,16-19H2,1-4H3/t23-,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 | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in presence of plasma by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
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 alpha-adrenoceptor 2B (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
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 alpha-adrenoceptor 2A (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/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 | 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 mu opioid receptor (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065662
(CHEMBL3403986)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OCc1cccc(c1)-c1ccccc1)C(C)C |r| Show InChI InChI=1S/C33H42N2O5/c1-24(2)35(33(36)28-14-15-30(38-4)31(19-28)39-17-9-16-37-3)22-29-20-34-21-32(29)40-23-25-10-8-13-27(18-25)26-11-6-5-7-12-26/h5-8,10-15,18-19,24,29,32,34H,9,16-17,20-23H2,1-4H3/t29-,32+/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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in presence of plasma by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065670
(CHEMBL3403998)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N1CCCC1)C(C)C |r| Show InChI InChI=1S/C25H39N3O6/c1-18(2)28(17-20-15-26-16-23(20)34-25(30)27-10-5-6-11-27)24(29)19-8-9-21(32-4)22(14-19)33-13-7-12-31-3/h8-9,14,18,20,23,26H,5-7,10-13,15-17H2,1-4H3/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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065684
(CHEMBL3403983)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@H]1CNC[C@H]1OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C27H38N2O5/c1-20(2)29(18-23-16-28-17-26(23)34-19-21-9-6-5-7-10-21)27(30)22-11-12-24(32-4)25(15-22)33-14-8-13-31-3/h5-7,9-12,15,20,23,26,28H,8,13-14,16-19H2,1-4H3/t23-,26-/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 | 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/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 | 4.00E+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 7-benzyl-4-trifluoromethylcoumarin as fluorometric substrate |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065672
(CHEMBL3403996)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@H]1CNC[C@@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/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 | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin by TR-FRET assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by dofetilide binding assay |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/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 | >2.00E+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: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+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: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
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 BACE2 (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Cathepsin E
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
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 cathepsin E (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
MMDB
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 | >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 cathepsin D (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Pepsin A-5
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 pepsin A (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
Gastricsin
(Homo sapiens (Human)) | BDBM50065660
(CHEMBL3403995)Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H39N3O6/c1-20(2)31(27(32)22-11-12-24(35-4)25(15-22)36-14-8-13-34-3)19-23-17-29-18-26(23)37-28(33)30-16-21-9-6-5-7-10-21/h5-7,9-12,15,20,23,26,29H,8,13-14,16-19H2,1-4H3,(H,30,33)/t23-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 pepsin C (unknown origin) |
Bioorg Med Chem Lett 25: 1787-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.040
BindingDB Entry DOI: 10.7270/Q2RF5WPJ |
More data for this
Ligand-Target Pair | |
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