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SMILES: CC(C)n1nc(Cc2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12

InChI Key: InChIKey=AAFALAKLPXVLIO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50403061   

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 [251-533] (Gallus gallus (Chicken))	BDBM50403061 (CHEMBL2216823 | US9353116, 9) Show SMILES CC(C)n1nc(Cc2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H20N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h4-8,10-11,22H,1,9H2,2-3H3,(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
The Regents of the University of California US Patent					Assay Description In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat...				US Patent US9353116 (2016) BindingDB Entry DOI: 10.7270/Q2V123N7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,T338C] (Gallus gallus (Chicken))	BDBM50403061 (CHEMBL2216823 | US9353116, 9) Show SMILES CC(C)n1nc(Cc2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H20N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h4-8,10-11,22H,1,9H2,2-3H3,(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	8.0	n/a
The Regents of the University of California US Patent					Assay Description In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat...				US Patent US9353116 (2016) BindingDB Entry DOI: 10.7270/Q2V123N7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50403061 (CHEMBL2216823 | US9353116, 9) Show SMILES CC(C)n1nc(Cc2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H20N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h4-8,10-11,22H,1,9H2,2-3H3,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of chicken c-Src using IYGEFKKK peptide as a substrate and [32P]ATP by fluorescence analysis				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,V323S,T338C] (Gallus gallus (Chicken))	BDBM50403061 (CHEMBL2216823 | US9353116, 9) Show SMILES CC(C)n1nc(Cc2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H20N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h4-8,10-11,22H,1,9H2,2-3H3,(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	424	n/a	n/a	n/a	n/a	8.0	n/a
The Regents of the University of California US Patent					Assay Description In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat...				US Patent US9353116 (2016) BindingDB Entry DOI: 10.7270/Q2V123N7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [251-533,V323A,T338C] (Gallus gallus (Chicken))	BDBM50403061 (CHEMBL2216823 | US9353116, 9) Show SMILES CC(C)n1nc(Cc2cccc(NS(=O)(=O)C=C)c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H20N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h4-8,10-11,22H,1,9H2,2-3H3,(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	207	n/a	n/a	n/a	n/a	8.0	n/a
The Regents of the University of California US Patent					Assay Description In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat...				US Patent US9353116 (2016) BindingDB Entry DOI: 10.7270/Q2V123N7
					More data for this Ligand-Target Pair