BindingDB PrimarySearch

BDBM50230100 4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)benzamide::CHEMBL255738::N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

SMILES: Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1

InChI Key: InChIKey=ZDYQINDXPNAOKX-UHFFFAOYSA-N

Data: 7 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50230100
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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 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	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP K_i Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 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	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 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
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 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	120	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
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP K_i Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 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	470	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
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	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
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	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
Institute of Molecular Genetics IGM-CNR Curated by ChEMBL					More data for this Ligand-Target Pair