BDBM190916 US9670203, Compound 1.80

SMILES: O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)N[C@@H]1CCCc2ccccc12

InChI Key: InChIKey=VZPYATCCROEPNC-CHQQOIJLSA-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 = 190916   

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
RAF proto-oncogene serine/threonine-protein kinase [306-648,Y340D,Y341D] (Homo sapiens (Human))	BDBM190916 (US9670203, Compound 1.80) Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C28H26N4O4/c33-23-11-9-18-22(12-13-29-27(18)31-23)35-16-8-10-21-19(14-16)24-25(26(24)36-21)32-28(34)30-20-7-3-5-15-4-1-2-6-17(15)20/h1-2,4,6,8,10,12-14,20,24-26H,3,5,7,9,11H2,(H,29,31,33)(H2,30,32,34)/t20-,24+,25+,26+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	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
Serine/threonine-protein kinase B-raf [416-766,V600E] (Homo sapiens (Human))	BDBM190916 (US9670203, Compound 1.80) Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C28H26N4O4/c33-23-11-9-18-22(12-13-29-27(18)31-23)35-16-8-10-21-19(14-16)24-25(26(24)36-21)32-28(34)30-20-7-3-5-15-4-1-2-6-17(15)20/h1-2,4,6,8,10,12-14,20,24-26H,3,5,7,9,11H2,(H,29,31,33)(H2,30,32,34)/t20-,24+,25+,26+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.00E+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