BDBM50131827 CHEMBL3632721

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

InChI Key: InChIKey=KLUQUTDAFSUQQQ-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 = 50131827   

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))	BDBM50131827 (CHEMBL3632721) Show SMILES Cn1c(Nc2cc(ccc2F)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C27H24F4N6O/c1-26(2,3)15-5-7-18(28)19(11-15)34-25-35-20-12-16(6-8-22(20)37(25)4)38-17-9-10-32-21(13-17)24-33-14-23(36-24)27(29,30)31/h5-14H,1-4H3,(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	42	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))	BDBM50131827 (CHEMBL3632721) Show SMILES Cn1c(Nc2cc(ccc2F)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C27H24F4N6O/c1-26(2,3)15-5-7-18(28)19(11-15)34-25-35-20-12-16(6-8-22(20)37(25)4)38-17-9-10-32-21(13-17)24-33-14-23(36-24)27(29,30)31/h5-14H,1-4H3,(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	3.30E+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