BindingDB logo
myBDB logout

null

SMILES: COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(CC5CCN(CC5)C(C)C)nc34)c2)cc(cc1NS(C)(=O)=O)C(C)(C)C

InChI Key: InChIKey=MXYHHRUNCDZTKO-UHFFFAOYSA-N

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 = 104879   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))		BDBM104879
PNG
(US8569316, III-46)
Show SMILES COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(CC5CCN(CC5)C(C)C)nc34)c2)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C36H47N7O4S/c1-22(2)43-15-13-24(14-16-43)17-27-11-12-28-32(39-27)34(38-21-37-28)40-29-18-25(10-9-23(29)3)35(44)41-30-19-26(36(4,5)6)20-31(33(30)47-7)42-48(8,45)46/h9-12,18-22,24,42H,13-17H2,1-8H3,(H,41,44)(H,37,38,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 553n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay.

US Patent US8569316 (2013)


BindingDB Entry DOI: 10.7270/Q29W0D44
More data for this
Ligand-Target Pair