BDBM50201226 4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-(4-(piperazin-1-yl)but-1-ynyl)quinoline-3-carbonitrile::CHEMBL240413

SMILES: COc1cc(Nc2c(cnc3cc(C#CCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl

InChI Key: InChIKey=XPRRLPNUCNFQJO-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 = 50201226   

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 (Rattus norvegicus)	BDBM50201226 (4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...) Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-34-24-12-19-22(11-17(24)5-3-4-8-33-9-6-30-7-10-33)31-16-18(15-29)26(19)32-23-14-25(35-2)21(28)13-20(23)27/h11-14,16,30H,4,6-10H2,1-2H3,(H,31,32)	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	520	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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50201226 (4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...) Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-34-24-12-19-22(11-17(24)5-3-4-8-33-9-6-30-7-10-33)31-16-18(15-29)26(19)32-23-14-25(35-2)21(28)13-20(23)27/h11-14,16,30H,4,6-10H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	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