BDBM50224381 1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL238559

SMILES: CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1

InChI Key: InChIKey=BEMGXQUJMOKYHT-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50224381   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50224381 (1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(m...) Show SMILES CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C20H17ClFN5S/c1-28-20-25-18(24-15-9-5-8-14(22)10-15)16-11-23-27(19(16)26-20)12-17(21)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant Abl by filter-binding assay				Eur J Med Chem 43: 2665-76 (2008) Article DOI: 10.1016/j.ejmech.2008.01.034 BindingDB Entry DOI: 10.7270/Q23J3CS2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50224381 (1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(m...) Show SMILES CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C20H17ClFN5S/c1-28-20-25-18(24-15-9-5-8-14(22)10-15)16-11-23-27(19(16)26-20)12-17(21)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				Eur J Med Chem 43: 2665-76 (2008) Article DOI: 10.1016/j.ejmech.2008.01.034 BindingDB Entry DOI: 10.7270/Q23J3CS2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50224381 (1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(m...) Show SMILES CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C20H17ClFN5S/c1-28-20-25-18(24-15-9-5-8-14(22)10-15)16-11-23-27(19(16)26-20)12-17(21)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Src				J Med Chem 50: 5579-88 (2007) Article DOI: 10.1021/jm061449r BindingDB Entry DOI: 10.7270/Q2HX1CDW
					More data for this Ligand-Target Pair