BDBM50167919 CHEMBL3799449

SMILES: COc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F

InChI Key: InChIKey=OXGYZBBLOABNDR-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 = 50167919   

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))	BDBM50167919 (CHEMBL3799449) Show SMILES COc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F Show InChI InChI=1S/C14H10F3N3O/c1-21-13-7-18-3-2-9(13)10-4-8(14(15,16)17)5-12-11(10)6-19-20-12/h2-7H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	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))	BDBM50167919 (CHEMBL3799449) Show SMILES COc1cnccc1-c1cc(cc2[nH]ncc12)C(F)(F)F Show InChI InChI=1S/C14H10F3N3O/c1-21-13-7-18-3-2-9(13)10-4-8(14(15,16)17)5-12-11(10)6-19-20-12/h2-7H,1H3,(H,19,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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