Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'CDGSH iron-sulfur domain-containing protein 1' and Ligand = 'BDBM50198769'   

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
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198769 (CHEBI:72761 | TRYPROSTATIN A) Show SMILES [H][C@@]12CCCN1C(=O)[C@]([H])(Cc1c(CC=C(C)C)[nH]c3cc(OC)ccc13)NC2=O |wD:1.0,8.9,(16.69,-7.4,;16.7,-5.85,;18.16,-6.34,;19.08,-5.1,;18.17,-3.84,;16.7,-4.31,;15.38,-3.54,;15.38,-1.99,;14.05,-4.31,;14.03,-2.77,;12.72,-3.54,;11.38,-4.31,;11.37,-5.85,;12.68,-6.58,;11.91,-7.91,;12.65,-9.26,;14.2,-9.27,;11.88,-10.57,;10.04,-6.62,;8.7,-5.84,;7.37,-6.62,;6.05,-5.85,;4.71,-6.62,;3.37,-5.85,;6.05,-4.31,;7.37,-3.53,;8.7,-4.31,;14.03,-5.85,;15.45,-6.76,;15.48,-8.3,)| Show InChI InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198769 (CHEBI:72761 | TRYPROSTATIN A) Show SMILES [H][C@@]12CCCN1C(=O)[C@]([H])(Cc1c(CC=C(C)C)[nH]c3cc(OC)ccc13)NC2=O |wD:1.0,8.9,(16.69,-7.4,;16.7,-5.85,;18.16,-6.34,;19.08,-5.1,;18.17,-3.84,;16.7,-4.31,;15.38,-3.54,;15.38,-1.99,;14.05,-4.31,;14.03,-2.77,;12.72,-3.54,;11.38,-4.31,;11.37,-5.85,;12.68,-6.58,;11.91,-7.91,;12.65,-9.26,;14.2,-9.27,;11.88,-10.57,;10.04,-6.62,;8.7,-5.84,;7.37,-6.62,;6.05,-5.85,;4.71,-6.62,;3.37,-5.85,;6.05,-4.31,;7.37,-3.53,;8.7,-4.31,;14.03,-5.85,;15.45,-6.76,;15.48,-8.3,)| Show InChI InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair