BDBM50201229 4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)quinoline-3-carbonitrile::CHEMBL241040

SMILES: COc1cc(Nc2c(cnc3cc(C#CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

InChI Key: InChIKey=VRGKLHSYJFONDB-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 = 50201229   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50201229 (4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...) Show SMILES COc1cc(Nc2c(cnc3cc(C#CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-32-7-9-33(10-8-32)6-4-5-17-11-22-19(12-24(17)34-2)26(18(15-29)16-30-22)31-23-14-25(35-3)21(28)13-20(23)27/h11-14,16H,6-10H2,1-3H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Src activity				Bioorg Med Chem Lett 17: 1358-61 (2007) Article DOI: 10.1016/j.bmcl.2006.11.077 BindingDB Entry DOI: 10.7270/Q2SJ1K7T
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50201229 (4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...) Show SMILES COc1cc(Nc2c(cnc3cc(C#CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-32-7-9-33(10-8-32)6-4-5-17-11-22-19(12-24(17)34-2)26(18(15-29)16-30-22)31-23-14-25(35-3)21(28)13-20(23)27/h11-14,16H,6-10H2,1-3H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Src in rat fibroblasts				Bioorg Med Chem Lett 17: 1358-61 (2007) Article DOI: 10.1016/j.bmcl.2006.11.077 BindingDB Entry DOI: 10.7270/Q2SJ1K7T
					More data for this Ligand-Target Pair