Compile Data Set for Download or QSAR

Found 11 hits of ec50 for monomerid = 50380728   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	3.30	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at human CCK1R V3.36A mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	5	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at human CCK1R W6.48A mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	0.470	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at wild-type human CCK1R expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	0.470	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at wild-type human CCK1R expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	0.288	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at human CCK1R N2.61T mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	25.4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human CCK1 receptor assessed as increase in CCK8-induced calcium release incubated in dark for 30 mins followed by light incubati...				Bioorg Med Chem Lett 22: 2943-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.049 BindingDB Entry DOI: 10.7270/Q2K35VP4
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	69	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at human CCK1R I6.51V, F6.52Y mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	<100	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at human CCK1R L7.39H mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	<1.00E+3	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at human CCK2R V6.51I, Y6.52F mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	<1.00E+3	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at human CCK2R H7.39L mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50380728 (CHEMBL2017835) Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/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	0.120	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Agonist activity at human CCK1R T3.28V, T3.29S mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis				J Med Chem 58: 9562-77 (2015) Article DOI: 10.1021/acs.jmedchem.5b01110 BindingDB Entry DOI: 10.7270/Q29K4D33
					More data for this Ligand-Target Pair