BDBM190914 US9670203, Compound 1.78

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

InChI Key: InChIKey=NMJWIKLPBOXVBB-FKBYEOEOSA-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 = 190914   

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))	BDBM190914 (US9670203, Compound 1.78) Show SMILES CCCCCCNC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C24H28N4O4/c1-2-3-4-5-11-26-24(30)28-21-20-16-13-14(6-8-17(16)32-22(20)21)31-18-10-12-25-23-15(18)7-9-19(29)27-23/h6,8,10,12-13,20-22H,2-5,7,9,11H2,1H3,(H,25,27,29)(H2,26,28,30)/t20-,21-,22-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	720	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