BDBM189836 US9670203, Compound 1.58

SMILES: Fc1cccc(CNC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1

InChI Key: InChIKey=USEGPXVTMVXEBF-VABKMULXSA-N

Data: 1 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 1 hit for monomerid = 189836   

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
B-Raf (V600E) (Homo sapiens (Human))	BDBM189836 (US9670203, Compound 1.58) Show SMILES Fc1cccc(CNC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r| Show InChI InChI=1S/C25H21FN4O4/c26-14-3-1-2-13(10-14)12-28-25(32)30-22-21-17-11-15(4-6-18(17)34-23(21)22)33-19-8-9-27-24-16(19)5-7-20(31)29-24/h1-4,6,8-11,21-23H,5,7,12H2,(H,27,29,31)(H2,28,30,32)/t21-,22-,23-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...				US Patent US9670203 (2017) BindingDB Entry DOI: 10.7270/Q20Z71F5
					More data for this Ligand-Target Pair