BDBM50131825 CHEMBL3632723

SMILES: Cn1c(Nc2cc(ccc2F)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

InChI Key: InChIKey=BSOYRWMMIWLZGL-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 = 50131825   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50131825 (CHEMBL3632723) Show SMILES Cn1c(Nc2cc(ccc2F)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C24H15F7N6O/c1-37-19-5-3-13(38-14-6-7-32-18(10-14)21-33-11-20(36-21)24(29,30)31)9-17(19)35-22(37)34-16-8-12(23(26,27)28)2-4-15(16)25/h2-11H,1H3,(H,33,36)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA				ACS Med Chem Lett 6: 961-5 (2015) BindingDB Entry DOI: 10.7270/Q28W3G4S
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50131825 (CHEMBL3632723) Show SMILES Cn1c(Nc2cc(ccc2F)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C24H15F7N6O/c1-37-19-5-3-13(38-14-6-7-32-18(10-14)21-33-11-20(36-21)24(29,30)31)9-17(19)35-22(37)34-16-8-12(23(26,27)28)2-4-15(16)25/h2-11H,1H3,(H,33,36)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity towards acetylcholine esterase (AChE)				ACS Med Chem Lett 6: 961-5 (2015) BindingDB Entry DOI: 10.7270/Q28W3G4S
					More data for this Ligand-Target Pair