BDBM188326 US9670203, Compound 1.36

SMILES: O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)Nc1ccncn1

InChI Key: InChIKey=DWCAPXBYGIBCNB-UFYCRDLUSA-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 = 188326   

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))	BDBM188326 (US9670203, Compound 1.36) Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)Nc1ccncn1 |r| Show InChI InChI=1S/C22H18N6O4/c29-17-4-2-12-15(5-8-24-21(12)27-17)31-11-1-3-14-13(9-11)18-19(20(18)32-14)28-22(30)26-16-6-7-23-10-25-16/h1,3,5-10,18-20H,2,4H2,(H,24,27,29)(H2,23,25,26,28,30)/t18-,19-,20-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+3	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