Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Insulin receptor' and Ligand = 'BDBM50385599'   

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
Insulin receptor (Homo sapiens (Human))	BDBM50385599 (CHEMBL2042830) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:21| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of insulin receptor				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
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