BDBM50201235 7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)-4-(3,4,5-trimethoxyphenylamino)quinoline-3-carbonitrile::CHEMBL239996

SMILES: COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)cc(OC)c1OC

InChI Key: InChIKey=SXTUGQYXLIENEI-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 = 50201235   

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))	BDBM50201235 (7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)-4-(3,4,5-...) Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)cc(OC)c1OC Show InChI InChI=1S/C28H31N5O3/c1-32-11-13-33(14-12-32)10-6-5-7-20-8-9-23-24(15-20)30-19-21(18-29)27(23)31-22-16-25(34-2)28(36-4)26(17-22)35-3/h8-9,15-17,19H,6,10-14H2,1-4H3,(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	220	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)	BDBM50201235 (7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)-4-(3,4,5-...) Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)cc(OC)c1OC Show InChI InChI=1S/C28H31N5O3/c1-32-11-13-33(14-12-32)10-6-5-7-20-8-9-23-24(15-20)30-19-21(18-29)27(23)31-22-16-25(34-2)28(36-4)26(17-22)35-3/h8-9,15-17,19H,6,10-14H2,1-4H3,(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	2.10E+3	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