Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50028017   

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
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265491 (1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56| Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	119	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265533 (2-({[(1S,5R,13R,14S,17S)-9,17-dihydroxy-4-methyl-1...) Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |r| Show InChI InChI=1S/C30H43N5O9/c1-31-23(37)14-42-15-24(38)32-8-3-4-9-33-25(39)16-43-17-26(40)34-20-5-6-30(41)22-12-18-11-19(36)13-21-27(18)29(30,28(20)44-21)7-10-35(22)2/h11,13,20,22,28,36,41H,3-10,12,14-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20-,22+,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	572	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.66	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair