BDBM50131824 CHEMBL3632724

SMILES: Cc1cnc([nH]1)-c1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1

InChI Key: InChIKey=RECKFDASWBRPIB-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 = 50131824   

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))	BDBM50131824 (CHEMBL3632724) Show SMILES Cc1cnc([nH]1)-c1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C24H18F4N6O/c1-13-12-30-22(31-13)20-11-16(7-8-29-20)35-15-4-6-21-19(10-15)33-23(34(21)2)32-18-9-14(24(26,27)28)3-5-17(18)25/h3-12H,1-2H3,(H,30,31)(H,32,33)	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	620	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))	BDBM50131824 (CHEMBL3632724) Show SMILES Cc1cnc([nH]1)-c1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C24H18F4N6O/c1-13-12-30-22(31-13)20-11-16(7-8-29-20)35-15-4-6-21-19(10-15)33-23(34(21)2)32-18-9-14(24(26,27)28)3-5-17(18)25/h3-12H,1-2H3,(H,30,31)(H,32,33)	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	3.40E+3	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