Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 125 entry = 50049182   

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))	BDBM50235830 (CHEMBL2006765) Show SMILES CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	502	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of INSR (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50235816 (CHEMBL4069365) Show SMILES CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12 Show InChI InChI=1S/C19H18F3N5O3/c1-18(2)11-4-3-10(7-13(11)25-14(28)8-30-18)24-17-26-12-5-6-29-15(12)16(27-17)23-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,25,28)(H2,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of INSR (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50235817 (CHEMBL4078893) Show SMILES FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12 Show InChI InChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of INSR (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50235833 (CHEMBL4062803) Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of INSR (unknown origin) after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair