Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567830'   

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))	BDBM50567830 (CHEMBL4878829) Show SMILES CCc1ccccc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(28.88,-27.83,;30.2,-27.02,;31.55,-27.76,;31.59,-29.3,;32.94,-30.03,;34.26,-29.22,;34.21,-27.68,;32.87,-26.95,;32.83,-25.42,;31.5,-24.66,;30.17,-25.43,;28.67,-25.02,;28.27,-23.53,;27.58,-26.11,;31.5,-23.12,;32.83,-22.34,;34.16,-23.12,;35.49,-22.34,;36.9,-22.97,;37.93,-21.83,;37.16,-20.5,;35.66,-20.81,;39.45,-22,;40.07,-23.41,;41.6,-23.58,;42.51,-22.33,;44.05,-22.5,;41.88,-20.92,;40.36,-20.76,;34.16,-24.66,;35.49,-25.43,;30.16,-22.35,;28.83,-23.12,;30.16,-20.81,;31.5,-20.04,;31.5,-18.51,;30.17,-17.73,;28.83,-18.51,;28.83,-20.05,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567830 (CHEMBL4878829) Show SMILES CCc1ccccc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(28.88,-27.83,;30.2,-27.02,;31.55,-27.76,;31.59,-29.3,;32.94,-30.03,;34.26,-29.22,;34.21,-27.68,;32.87,-26.95,;32.83,-25.42,;31.5,-24.66,;30.17,-25.43,;28.67,-25.02,;28.27,-23.53,;27.58,-26.11,;31.5,-23.12,;32.83,-22.34,;34.16,-23.12,;35.49,-22.34,;36.9,-22.97,;37.93,-21.83,;37.16,-20.5,;35.66,-20.81,;39.45,-22,;40.07,-23.41,;41.6,-23.58,;42.51,-22.33,;44.05,-22.5,;41.88,-20.92,;40.36,-20.76,;34.16,-24.66,;35.49,-25.43,;30.16,-22.35,;28.83,-23.12,;30.16,-20.81,;31.5,-20.04,;31.5,-18.51,;30.17,-17.73,;28.83,-18.51,;28.83,-20.05,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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