Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50329178'   

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)	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CCK8 from rat CCK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6797-801 (2010) Article DOI: 10.1016/j.bmcl.2010.08.115 BindingDB Entry DOI: 10.7270/Q2TH8MZ8
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Displacement of [125I]CCK from CCK1R (unknown origin) expressed in CHO cells				Bioorg Med Chem Lett 25: 1849-55 (2015) Article DOI: 10.1016/j.bmcl.2015.03.051 BindingDB Entry DOI: 10.7270/Q2SJ1NB0
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK-8 from membrane preparation isolated from CHO-KI cells stably transf...				J Med Chem 39: 5236-45 (1997) Article DOI: 10.1021/jm9601664 BindingDB Entry DOI: 10.7270/Q2PG1T0Z
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Displacement of [125I]BDZ1 from CCK1R (unknown origin) expressed in CHO cells				Bioorg Med Chem Lett 25: 1849-55 (2015) Article DOI: 10.1016/j.bmcl.2015.03.051 BindingDB Entry DOI: 10.7270/Q2SJ1NB0
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CCK8 from human CCK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6797-801 (2010) Article DOI: 10.1016/j.bmcl.2010.08.115 BindingDB Entry DOI: 10.7270/Q2TH8MZ8
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63.8	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at rat CCK1 receptor expressed in CHO cells assessed as induction of calcium release by FLIPR assay				Bioorg Med Chem Lett 20: 6797-801 (2010) Article DOI: 10.1016/j.bmcl.2010.08.115 BindingDB Entry DOI: 10.7270/Q2TH8MZ8
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	283	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human CCK1 receptor expressed in CHO cells assessed as induction of calcium release by FLIPR assay				Bioorg Med Chem Lett 20: 6797-801 (2010) Article DOI: 10.1016/j.bmcl.2010.08.115 BindingDB Entry DOI: 10.7270/Q2TH8MZ8
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.190	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 1 nM (Rvb = 7 to 14 pM)				Bioorg Med Chem Lett 25: 1849-55 (2015) Article DOI: 10.1016/j.bmcl.2015.03.051 BindingDB Entry DOI: 10.7270/Q2SJ1NB0
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00200	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 0.316 nM (Rvb = 7 to 14...				Bioorg Med Chem Lett 25: 1849-55 (2015) Article DOI: 10.1016/j.bmcl.2015.03.051 BindingDB Entry DOI: 10.7270/Q2SJ1NB0
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 0.1 nM (Rvb = 7 to 14 p...				Bioorg Med Chem Lett 25: 1849-55 (2015) Article DOI: 10.1016/j.bmcl.2015.03.051 BindingDB Entry DOI: 10.7270/Q2SJ1NB0
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0130	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 0.01 nM (Rvb = 7 to 14 ...				Bioorg Med Chem Lett 25: 1849-55 (2015) Article DOI: 10.1016/j.bmcl.2015.03.051 BindingDB Entry DOI: 10.7270/Q2SJ1NB0
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50329178 ((S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Activity at CCK1R (unknown origin) expressed in CHO cells assessed as stimulation of intracellular calcium responses				Bioorg Med Chem Lett 25: 1849-55 (2015) Article DOI: 10.1016/j.bmcl.2015.03.051 BindingDB Entry DOI: 10.7270/Q2SJ1NB0
					More data for this Ligand-Target Pair