BDBM50320700 1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1165511

SMILES: Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12

InChI Key: InChIKey=AAMZEJILAVQVEW-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50320700   

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))	BDBM50320700 (1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12 Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					Assay Description Inhibition of histidine-tagged human recombinant SRC expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...				Bioorg Med Chem 18: 3999-4008 (2010) Article DOI: 10.1016/j.bmc.2010.04.024 BindingDB Entry DOI: 10.7270/Q2Q240F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50320700 (1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12 Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					Assay Description Inhibition of histidine-tagged human recombinant SRC expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...				Bioorg Med Chem 18: 3999-4008 (2010) Article DOI: 10.1016/j.bmc.2010.04.024 BindingDB Entry DOI: 10.7270/Q2Q240F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50320700 (1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12 Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					Assay Description Inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...				Bioorg Med Chem 18: 3999-4008 (2010) Article DOI: 10.1016/j.bmc.2010.04.024 BindingDB Entry DOI: 10.7270/Q2Q240F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50320700 (1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12 Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	732	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 Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50320700 (1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12 Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					Assay Description Inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...				Bioorg Med Chem 18: 3999-4008 (2010) Article DOI: 10.1016/j.bmc.2010.04.024 BindingDB Entry DOI: 10.7270/Q2Q240F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50320700 (1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12 Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					Assay Description Mixed-type inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins b...				Bioorg Med Chem 18: 3999-4008 (2010) Article DOI: 10.1016/j.bmc.2010.04.024 BindingDB Entry DOI: 10.7270/Q2Q240F5
					More data for this Ligand-Target Pair