BindingDB PrimarySearch

BDBM50142880 1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL289125::[1-(2-Chloro-2-phenyl-ethyl)-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-phenethyl-amine

SMILES: CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1

InChI Key: InChIKey=DCXUDJFLTXEABV-UHFFFAOYSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50142880
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
University of Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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
Università degli Studi di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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
Università degli Studi di Genova Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
Università degli Studi di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Src				Eur J Med Chem 44: 3712-7 (2009) Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F
Universit£ degli Studi di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Abl				Eur J Med Chem 44: 3712-7 (2009) Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F
Universit£ degli Studi di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
University of Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+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 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
Università degli Studi di Genova Curated by ChEMBL					More data for this Ligand-Target Pair