BDBM50026686 CHEMBL3335384

SMILES: CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1

InChI Key: InChIKey=XTXLNRXRPGKTRM-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50026686   

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))	BDBM50026686 (CHEMBL3335384) Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C32H40N6O2/c1-21(2)38-16-13-22(14-17-38)30(39)36-29-20-26(12-15-33-29)40-25-10-11-28-27(19-25)35-31(37(28)6)34-24-9-7-8-23(18-24)32(3,4)5/h7-12,15,18-22H,13-14,16-17H2,1-6H3,(H,34,35)(H,33,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay				ACS Med Chem Lett 5: 989-92 (2014) Article DOI: 10.1021/ml5002272 BindingDB Entry DOI: 10.7270/Q2RN39FP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50026686 (CHEMBL3335384) Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C32H40N6O2/c1-21(2)38-16-13-22(14-17-38)30(39)36-29-20-26(12-15-33-29)40-25-10-11-28-27(19-25)35-31(37(28)6)34-24-9-7-8-23(18-24)32(3,4)5/h7-12,15,18-22H,13-14,16-17H2,1-6H3,(H,34,35)(H,33,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant (unknown origin)				ACS Med Chem Lett 5: 989-92 (2014) Article DOI: 10.1021/ml5002272 BindingDB Entry DOI: 10.7270/Q2RN39FP
					More data for this Ligand-Target Pair