Found 6 hits for monomerid = 50529950 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50529950
(CHEMBL4551139)Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay |
J Med Chem 62: 1330-1347 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01464 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50529950
(CHEMBL4551139)Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay |
J Med Chem 62: 1330-1347 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01464 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50529950
(CHEMBL4551139)Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay |
J Med Chem 62: 1330-1347 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01464 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50529950
(CHEMBL4551139)Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay |
J Med Chem 62: 1330-1347 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01464 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50529950
(CHEMBL4551139)Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay |
J Med Chem 62: 1330-1347 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01464 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50529950
(CHEMBL4551139)Show SMILES Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1 Show InChI InChI=1S/C23H19Cl2N3/c1-2-12-27-15-19(14-22(27)17-3-7-20(24)8-4-17)23(28-13-11-26-16-28)18-5-9-21(25)10-6-18/h2-11,13-16,23H,1,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
"Sapienza" Universit£ di Roma
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay |
J Med Chem 62: 1330-1347 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01464 |
More data for this
Ligand-Target Pair | |
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