Found 6 hits of ic50 for monomerid = 50355392 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 2C19
(Homo sapiens (Human)) | BDBM50355392
(CHEMBL1834658)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 using CEC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50355392
(CHEMBL1834658)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using BFC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50355392
(CHEMBL1834658)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 using MFC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50355392
(CHEMBL1834658)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 using CEC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50355392
(CHEMBL1834658)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 using AMMC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50355392
(CHEMBL1834658)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl Show InChI InChI=1S/C25H29Cl2N7O3/c1-32-8-10-34(11-9-32)17-7-5-6-16(12-17)30-20-14-21(29-15-28-20)33(2)25(35)31-24-22(26)18(36-3)13-19(37-4)23(24)27/h5-7,12-15H,8-11H2,1-4H3,(H,31,35)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using DBF as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this
Ligand-Target Pair | |
Search and Browse
