null

SMILES: COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCN(CC4CCN(C)CC4)CC3)c2)cc1C(F)(F)F

InChI Key: InChIKey=UPKYYVVGGHRRGU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 117739   

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 [V600E] (Homo sapiens (Human))	BDBM117739 (US8653087, III-419 | US8653087, III-562) Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCN(CC4CCN(C)CC4)CC3)c2)cc1C(F)(F)F Show InChI InChI=1S/C33H38F3N9O2/c1-21-4-5-23(31(46)40-24-6-7-28(47-3)25(17-24)33(34,35)36)16-26(21)41-30-29-27(38-20-39-30)18-37-32(42-29)45-14-12-44(13-15-45)19-22-8-10-43(2)11-9-22/h4-7,16-18,20,22H,8-15,19H2,1-3H3,(H,40,46)(H,38,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM117739 (US8653087, III-419 | US8653087, III-562) Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCN(CC4CCN(C)CC4)CC3)c2)cc1C(F)(F)F Show InChI InChI=1S/C33H38F3N9O2/c1-21-4-5-23(31(46)40-24-6-7-28(47-3)25(17-24)33(34,35)36)16-26(21)41-30-29-27(38-20-39-30)18-37-32(42-29)45-14-12-44(13-15-45)19-22-8-10-43(2)11-9-22/h4-7,16-18,20,22H,8-15,19H2,1-3H3,(H,40,46)(H,38,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
					More data for this Ligand-Target Pair