Found 8 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)) | BDBM50269061
((1R)-6-Bromo-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrah...)Show SMILES C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 |r| Show InChI InChI=1S/C20H21BrN2/c1-13(14-6-3-2-4-7-14)22-19-9-5-8-16-17-12-15(21)10-11-18(17)23-20(16)19/h2-4,6-7,10-13,19,22-23H,5,8-9H2,1H3/t13-,19-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 19: 4110-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50269061
((1R)-6-Bromo-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrah...)Show SMILES C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 |r| Show InChI InChI=1S/C20H21BrN2/c1-13(14-6-3-2-4-7-14)22-19-9-5-8-16-17-12-15(21)10-11-18(17)23-20(16)19/h2-4,6-7,10-13,19,22-23H,5,8-9H2,1H3/t13-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 4110-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50295256
((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...)Show SMILES Fc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r| Show InChI InChI=1S/C19H16ClFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 4110-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50295256
((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...)Show SMILES Fc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r| Show InChI InChI=1S/C19H16ClFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 19: 4110-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50295257
((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...)Show SMILES Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1 |r| Show InChI InChI=1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 19: 4110-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50295257
((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...)Show SMILES Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1 |r| Show InChI InChI=1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 4110-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50295255
(6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-...)Show InChI InChI=1S/C18H17BrN2/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20-21H,4,7-8H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 4110-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50295255
(6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-...)Show InChI InChI=1S/C18H17BrN2/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20-21H,4,7-8H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 19: 4110-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX |
More data for this
Ligand-Target Pair | |
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