Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50032778   

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
Glucagon receptor (Homo sapiens (Human))	BDBM50334486 (CHEMBL1643951 | trans-4-((1-(4-tert-butylcyclohexy...) Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r,wU:7.10,wD:4.3,(26.38,-4.09,;27.72,-3.32,;29.05,-4.09,;27.7,-4.85,;27.72,-1.78,;29.05,-1.01,;29.05,.54,;27.72,1.29,;26.38,.53,;26.38,-1.01,;27.71,2.83,;26.38,3.6,;25.05,2.82,;25.05,1.27,;23.71,.5,;22.38,1.27,;22.38,2.82,;23.71,3.59,;21.05,.5,;21.04,-1.04,;19.71,1.27,;18.38,.5,;16.98,1.14,;15.95,-.01,;16.72,-1.34,;18.23,-1.02,;29.04,3.61,;29.04,5.15,;30.38,2.84,;31.71,3.62,;33.04,2.85,;34.37,3.62,;34.37,5.16,;35.7,5.94,;37.03,5.18,;38.36,5.96,;37.04,3.64,;38.36,4.41,;33.02,5.93,;31.7,5.15,)| Show InChI InChI=1S/C27H32F3N7O3/c1-26(2,3)19-8-12-21(13-9-19)37(25(39)31-20-10-14-22(15-11-20)40-27(28,29)30)16-17-4-6-18(7-5-17)23(38)32-24-33-35-36-34-24/h4-7,10-11,14-15,19,21H,8-9,12-13,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38)/t19-,21-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]glucagon from human GCGR expressed in CHO cells				Bioorg Med Chem Lett 21: 76-81 (2010) Article DOI: 10.1016/j.bmcl.2010.11.074 BindingDB Entry DOI: 10.7270/Q2R211PW
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM50334490 (4-((5-cyclohexyl-3-(4-(trifluoromethoxy)phenyl)-1H...) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cc(C2CCCCC2)n(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)n1 Show InChI InChI=1S/C25H24F3N7O2/c26-25(27,28)37-20-12-10-17(11-13-20)21-14-22(18-4-2-1-3-5-18)35(32-21)15-16-6-8-19(9-7-16)23(36)29-24-30-33-34-31-24/h6-14,18H,1-5,15H2,(H2,29,30,31,33,34,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]glucagon from human GCGR expressed in CHO cells				Bioorg Med Chem Lett 21: 76-81 (2010) Article DOI: 10.1016/j.bmcl.2010.11.074 BindingDB Entry DOI: 10.7270/Q2R211PW
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM50334485 (2-(4-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyra...) Show SMILES OC(=O)CNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H19F6N3O5/c28-26(29,30)40-20-9-5-17(6-10-20)22-13-23(18-7-11-21(12-8-18)41-27(31,32)33)36(35-22)15-16-1-3-19(4-2-16)25(39)34-14-24(37)38/h1-13H,14-15H2,(H,34,39)(H,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]glucagon from human GCGR expressed in CHO cells				Bioorg Med Chem Lett 21: 76-81 (2010) Article DOI: 10.1016/j.bmcl.2010.11.074 BindingDB Entry DOI: 10.7270/Q2R211PW
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM50334484 (4-(1-(3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyraz...) Show SMILES CC(c1ccc(cc1)C(=O)Nc1nnn[nH]1)n1nc(cc1-c1ccc(OC(F)(F)F)cc1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H19F6N7O3/c1-15(16-2-4-19(5-3-16)24(41)34-25-35-38-39-36-25)40-23(18-8-12-21(13-9-18)43-27(31,32)33)14-22(37-40)17-6-10-20(11-7-17)42-26(28,29)30/h2-15H,1H3,(H2,34,35,36,38,39,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]glucagon from human GCGR expressed in CHO cells				Bioorg Med Chem Lett 21: 76-81 (2010) Article DOI: 10.1016/j.bmcl.2010.11.074 BindingDB Entry DOI: 10.7270/Q2R211PW
					More data for this Ligand-Target Pair