Found 18 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 |
|---|
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50037205
(CHEMBL3356239)Show InChI InChI=1S/C26H34N2O2/c1-30-24-14-8-6-10-21(24)15-17-27-19-25(29)28-18-16-20-9-5-7-13-23(20)26(28)22-11-3-2-4-12-22/h5-10,13-14,22,26-27H,2-4,11-12,15-19H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 after 30 mins |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50037212
(CHEMBL3356251)Show SMILES OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1 |r| Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2/t23-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 after 30 mins |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50037205
(CHEMBL3356239)Show InChI InChI=1S/C26H34N2O2/c1-30-24-14-8-6-10-21(24)15-17-27-19-25(29)28-18-16-20-9-5-7-13-23(20)26(28)22-11-3-2-4-12-22/h5-10,13-14,22,26-27H,2-4,11-12,15-19H2,1H3 | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 after 30 mins |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50383961
(CHEMBL2031958)Show SMILES COc1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC Show InChI InChI=1S/C32H40F2N2O3/c1-37-30-21-24(22-31(38-2)32(30)39-3)23-36-19-17-35(18-20-36)16-6-4-5-7-29(25-8-12-27(33)13-9-25)26-10-14-28(34)15-11-26/h8-15,21-22,29H,4-7,16-20,23H2,1-3H3 | 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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50037205
(CHEMBL3356239)Show InChI InChI=1S/C26H34N2O2/c1-30-24-14-8-6-10-21(24)15-17-27-19-25(29)28-18-16-20-9-5-7-13-23(20)26(28)22-11-3-2-4-12-22/h5-10,13-14,22,26-27H,2-4,11-12,15-19H2,1H3 | 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 | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 after 45 mins |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037205
(CHEMBL3356239)Show InChI InChI=1S/C26H34N2O2/c1-30-24-14-8-6-10-21(24)15-17-27-19-25(29)28-18-16-20-9-5-7-13-23(20)26(28)22-11-3-2-4-12-22/h5-10,13-14,22,26-27H,2-4,11-12,15-19H2,1H3 | 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 | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037208
(CHEMBL3356246)Show InChI InChI=1S/C24H36N2O/c27-23(18-25-17-19-9-3-1-4-10-19)26-16-15-20-11-7-8-14-22(20)24(26)21-12-5-2-6-13-21/h7-8,11,14,19,21,24-25H,1-6,9-10,12-13,15-18H2 | 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 | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50037205
(CHEMBL3356239)Show InChI InChI=1S/C26H34N2O2/c1-30-24-14-8-6-10-21(24)15-17-27-19-25(29)28-18-16-20-9-5-7-13-23(20)26(28)22-11-3-2-4-12-22/h5-10,13-14,22,26-27H,2-4,11-12,15-19H2,1H3 | 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 | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 after 15 mins |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037209
(CHEMBL3356247)Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2 | 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 | 4.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50037212
(CHEMBL3356251)Show SMILES OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1 |r| Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2/t23-/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 after 15 mins |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50037212
(CHEMBL3356251)Show SMILES OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1 |r| Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2/t23-/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 after 30 mins |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50037212
(CHEMBL3356251)Show SMILES OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1 |r| Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2/t23-/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 after 45 mins |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037211
(CHEMBL3356249)Show InChI InChI=1S/C25H38N2O2/c28-23(18-26-19-25(29)15-8-1-2-9-16-25)27-17-14-20-10-6-7-13-22(20)24(27)21-11-4-3-5-12-21/h6-7,10,13,21,24,26,29H,1-5,8-9,11-12,14-19H2 | 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 | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037207
(CHEMBL3356242)Show SMILES Clc1cccc(Cl)c1CCNCC(=O)N1CCc2ccccc2C1C1CCCCC1 Show InChI InChI=1S/C25H30Cl2N2O/c26-22-11-6-12-23(27)21(22)13-15-28-17-24(30)29-16-14-18-7-4-5-10-20(18)25(29)19-8-2-1-3-9-19/h4-7,10-12,19,25,28H,1-3,8-9,13-17H2 | 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 | 5.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037213
(CHEMBL3356252)Show SMILES OC1(CNCC(=O)N2CCc3ccccc3[C@H]2C2CCCCC2)CCCCC1 |r| Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2/t23-/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 | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037210
(CHEMBL3356248)Show InChI InChI=1S/C23H34N2O2/c26-21(16-24-17-23(27)13-6-7-14-23)25-15-12-18-8-4-5-11-20(18)22(25)19-9-2-1-3-10-19/h4-5,8,11,19,22,24,27H,1-3,6-7,9-10,12-17H2 | 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 | 7.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037212
(CHEMBL3356251)Show SMILES OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1 |r| Show InChI InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2/t23-/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 | 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50037206
(CHEMBL3356240)Show SMILES COc1c(OC(C)(C)C)cc(CN2CC(=O)N(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2=O)cc1OC(C)(C)C Show InChI InChI=1S/C38H48F2N2O5/c1-37(2,3)46-32-21-26(22-33(36(32)45-7)47-38(4,5)6)23-42-25-34(43)41(24-35(42)44)20-10-8-9-11-31(27-12-16-29(39)17-13-27)28-14-18-30(40)19-15-28/h12-19,21-22,31H,8-11,20,23-25H2,1-7H3 | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Rb efflux assay |
Bioorg Med Chem 22: 6899-907 (2014)
Article DOI: 10.1016/j.bmc.2014.10.020
BindingDB Entry DOI: 10.7270/Q28C9XVP |
More data for this
Ligand-Target Pair | |
Search and Browse
