Found 4 hits for monomerid = 50011322 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 |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50011322
(CHEMBL3260745)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835 BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50011322
(CHEMBL3260745)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3 | 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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835 BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50011322
(CHEMBL3260745)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3 | 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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP3A4 |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835 BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50011322
(CHEMBL3260745)Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3 | 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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C19 |
J Med Chem 56: 9586-600 (2014)
Article DOI: 10.1021/jm4010835 BindingDB Entry DOI: 10.7270/Q24X59B8 |
More data for this Ligand-Target Pair | |