Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50250012'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50250012 (CHEMBL4080552 | US11208411, Compound MLC468) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cc(F)cc(F)c3)c12 Show InChI InChI=1S/C18H20F2N6/c19-13-5-12(6-14(20)8-13)7-15-16-17(21)23-10-24-18(16)26(25-15)9-11-1-3-22-4-2-11/h5-6,8,10-11,22H,1-4,7,9H2,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Full length CDPK1 was PCR amplified from a T. gondii RH cDNA library generated using the SMART cDNA synthesis kit (Clontech). The primers contained r...				Citation and Details BindingDB Entry DOI: 10.7270/Q21G0QGQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250012 (CHEMBL4080552 | US11208411, Compound MLC468) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cc(F)cc(F)c3)c12 Show InChI InChI=1S/C18H20F2N6/c19-13-5-12(6-14(20)8-13)7-15-16-17(21)23-10-24-18(16)26(25-15)9-11-1-3-22-4-2-11/h5-6,8,10-11,22H,1-4,7,9H2,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...				J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0
					More data for this Ligand-Target Pair