Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50017385   

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
Cholecystokinin receptor type A (RAT)	BDBM50181434 ((S)-2-{3-[3-(4-Benzoylphenyl)ureido]-2,4-dioxo-5-p...) Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O Show InChI InChI=1S/C41H37N5O6/c1-27(2)45(32-21-23-33(52-3)24-22-32)36(47)26-44-34-19-10-11-20-35(34)46(31-17-8-5-9-18-31)40(50)37(39(44)49)43-41(51)42-30-16-12-15-29(25-30)38(48)28-13-6-4-7-14-28/h4-25,27,37H,26H2,1-3H3,(H2,42,43,51)/t37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Displacement of [125I-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat CCK receptor expressed in CHO cells				J Med Chem 49: 850-63 (2006) Article DOI: 10.1021/jm049072h BindingDB Entry DOI: 10.7270/Q28S4PHJ
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50181435 ((R)-2-{3-[3-(4-Benzoylphenyl)ureido]-2,4-dioxo-5-p...) Show SMILES COc1ccc(cc1)N(C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@H](NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O Show InChI InChI=1S/C39H33N5O6/c1-42(29-20-22-31(50-2)23-21-29)34(45)25-43-32-18-9-10-19-33(32)44(30-16-7-4-8-17-30)38(48)35(37(43)47)41-39(49)40-28-15-11-14-27(24-28)36(46)26-12-5-3-6-13-26/h3-24,35H,25H2,1-2H3,(H2,40,41,49)/t35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Displacement of [125I-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat CCK receptor expressed in CHO cells				J Med Chem 49: 850-63 (2006) Article DOI: 10.1021/jm049072h BindingDB Entry DOI: 10.7270/Q28S4PHJ
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50181433 ((S)-2-{3-[3-(4-Benzoylphenyl)ureido]-2,4-dioxo-5-p...) Show SMILES COc1ccc(cc1)N(C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O Show InChI InChI=1S/C39H33N5O6/c1-42(29-20-22-31(50-2)23-21-29)34(45)25-43-32-18-9-10-19-33(32)44(30-16-7-4-8-17-30)38(48)35(37(43)47)41-39(49)40-28-15-11-14-27(24-28)36(46)26-12-5-3-6-13-26/h3-24,35H,25H2,1-2H3,(H2,40,41,49)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Displacement of [125I-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat CCK receptor expressed in CHO cells				J Med Chem 49: 850-63 (2006) Article DOI: 10.1021/jm049072h BindingDB Entry DOI: 10.7270/Q28S4PHJ
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50181436 ((R)-2-{3-[3-(4-Benzoylphenyl)ureido]-2,4-dioxo-5-p...) Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@H](NC(=O)Nc2cccc(c2)C(=O)c2ccccc2)C1=O Show InChI InChI=1S/C41H37N5O6/c1-27(2)45(32-21-23-33(52-3)24-22-32)36(47)26-44-34-19-10-11-20-35(34)46(31-17-8-5-9-18-31)40(50)37(39(44)49)43-41(51)42-30-16-12-15-29(25-30)38(48)28-13-6-4-7-14-28/h4-25,27,37H,26H2,1-3H3,(H2,42,43,51)/t37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Displacement of [125I-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat CCK receptor expressed in CHO cells				J Med Chem 49: 850-63 (2006) Article DOI: 10.1021/jm049072h BindingDB Entry DOI: 10.7270/Q28S4PHJ
					More data for this Ligand-Target Pair