BDBM50334226 CHEMBL1641989::N-(1-(3-Bromophenylamino)-4-cyanoisoquinolin-7-yl)-4-(dimethylamino)butanamide

SMILES: CN(C)CCCC(=O)Nc1ccc2c(cnc(Nc3cccc(Br)c3)c2c1)C#N

InChI Key: InChIKey=JFEJSBHDIHUJSI-UHFFFAOYSA-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 = 50334226   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50334226 (CHEMBL1641989 | N-(1-(3-Bromophenylamino)-4-cyanoi...) Show SMILES CN(C)CCCC(=O)Nc1ccc2c(cnc(Nc3cccc(Br)c3)c2c1)C#N Show InChI InChI=1S/C22H22BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-19-15(13-24)14-25-22(20(19)12-18)27-17-6-3-5-16(23)11-17/h3,5-6,8-9,11-12,14H,4,7,10H2,1-2H3,(H,25,27)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50334226 (CHEMBL1641989 | N-(1-(3-Bromophenylamino)-4-cyanoi...) Show SMILES CN(C)CCCC(=O)Nc1ccc2c(cnc(Nc3cccc(Br)c3)c2c1)C#N Show InChI InChI=1S/C22H22BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-19-15(13-24)14-25-22(20(19)12-18)27-17-6-3-5-16(23)11-17/h3,5-6,8-9,11-12,14H,4,7,10H2,1-2H3,(H,25,27)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair