Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567826'   

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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567826 (CHEMBL4872262) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2(CNC2)C1 |(15.52,-13.36,;14.17,-12.63,;12.86,-13.44,;12.9,-14.97,;11.59,-15.78,;10.23,-15.05,;10.19,-13.51,;8.84,-12.77,;7.53,-13.58,;11.51,-12.71,;11.47,-11.17,;10.14,-10.41,;8.81,-11.18,;7.31,-10.77,;6.92,-9.28,;6.22,-11.86,;10.14,-8.87,;11.47,-8.09,;12.8,-8.87,;14.13,-8.09,;15.54,-8.73,;16.57,-7.58,;15.81,-6.25,;14.3,-6.56,;18.1,-7.75,;18.72,-9.16,;20.25,-9.33,;21.16,-8.08,;22.69,-8.25,;20.53,-6.67,;19,-6.51,;12.8,-10.41,;14.13,-11.18,;8.81,-8.1,;7.47,-8.87,;8.8,-6.56,;9.89,-5.48,;8.79,-4.38,;9.88,-3.29,;8.78,-2.2,;7.69,-3.29,;7.71,-5.48,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00019 BindingDB Entry DOI: 10.7270/Q2FF3X3S
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567826 (CHEMBL4872262) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2(CNC2)C1 |(15.52,-13.36,;14.17,-12.63,;12.86,-13.44,;12.9,-14.97,;11.59,-15.78,;10.23,-15.05,;10.19,-13.51,;8.84,-12.77,;7.53,-13.58,;11.51,-12.71,;11.47,-11.17,;10.14,-10.41,;8.81,-11.18,;7.31,-10.77,;6.92,-9.28,;6.22,-11.86,;10.14,-8.87,;11.47,-8.09,;12.8,-8.87,;14.13,-8.09,;15.54,-8.73,;16.57,-7.58,;15.81,-6.25,;14.3,-6.56,;18.1,-7.75,;18.72,-9.16,;20.25,-9.33,;21.16,-8.08,;22.69,-8.25,;20.53,-6.67,;19,-6.51,;12.8,-10.41,;14.13,-11.18,;8.81,-8.1,;7.47,-8.87,;8.8,-6.56,;9.89,-5.48,;8.79,-4.38,;9.88,-3.29,;8.78,-2.2,;7.69,-3.29,;7.71,-5.48,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00019 BindingDB Entry DOI: 10.7270/Q2FF3X3S
					More data for this Ligand-Target Pair