BDBM50170766 CHEMBL189634::[(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl-octahydro-pyrido[1,2-c]pyrimidin-5-ylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1

InChI Key: InChIKey=GJIMVDRKIKKNJY-DSITVLBTSA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50170766   

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 (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 2 receptor				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	514	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329F)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	36.6	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S348A)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R336M)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 1 receptor				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	35.2	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate production in Cos-7 cells expressing human CCK1R				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329A)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	71.6	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (T117A)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	35.2	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (M195L)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	33.2	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S342A)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R197M)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I352A)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50170766 (CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1 Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/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	23.3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (F107A)				J Med Chem 48: 4842-50 (2005) Article DOI: 10.1021/jm0501127 BindingDB Entry DOI: 10.7270/Q2WQ03BN
					More data for this Ligand-Target Pair