BDBM50167922 CHEMBL3797286

SMILES: COc1ccc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F

InChI Key: InChIKey=LJBIQXKUSNRCSD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50167922   

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))	BDBM50167922 (CHEMBL3797286) Show SMILES COc1ccc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F Show InChI InChI=1S/C15H12F3N3O2/c1-22-13-4-3-9(14(20-13)23-2)10-5-8(15(16,17)18)6-12-11(10)7-19-21-12/h3-7H,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha				Bioorg Med Chem Lett 26: 2774-2778 (2016) Article DOI: 10.1016/j.bmcl.2016.04.073 BindingDB Entry DOI: 10.7270/Q2DF6T4T
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50167922 (CHEMBL3797286) Show SMILES COc1ccc(c(OC)n1)-c1cc(cc2[nH]ncc12)C(F)(F)F Show InChI InChI=1S/C15H12F3N3O2/c1-22-13-4-3-9(14(20-13)23-2)10-5-8(15(16,17)18)6-12-11(10)7-19-21-12/h3-7H,1-2H3,(H,19,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...				Bioorg Med Chem Lett 26: 2774-2778 (2016) Article DOI: 10.1016/j.bmcl.2016.04.073 BindingDB Entry DOI: 10.7270/Q2DF6T4T
					More data for this Ligand-Target Pair