BDBM50185262 (+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-phenylpropanoic acid::2(R,S)-{2-[(1H-indole-2-carbonyl)amino]benzoylamino}-3-phenylpropionic acid::2-(2-(1H-indole-2-carboxamido)benzamido)-3-phenylpropanoic acid::CHEMBL202861

SMILES: OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=GXZXQTARIHFJCZ-UHFFFAOYSA-N

Data: 3 KI  5 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 8 hits for monomerid = 50185262   

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))	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]CCK-8S from human CCK2R				J Med Chem 49: 6371-90 (2006) Article DOI: 10.1021/jm060590x BindingDB Entry DOI: 10.7270/Q2MK6CHM
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Aristotelian University of Thessaloniki Curated by ChEMBL					Assay Description Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells				Bioorg Med Chem 17: 5198-206 (2009) Article DOI: 10.1016/j.bmc.2009.05.067 BindingDB Entry DOI: 10.7270/Q2QC03JB
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells				Bioorg Med Chem 17: 2336-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.012 BindingDB Entry DOI: 10.7270/Q27S7NNR
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Displacement of [111In]-DTPAGlu-Gly-[Tyr27(SO3)]-CCK8 from human CCK1 receptor in A431 cells				J Med Chem 49: 2456-62 (2006) Article DOI: 10.1021/jm051050n BindingDB Entry DOI: 10.7270/Q2Q81CPS
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-CCK8 from CCK1 receptor in Hartley guinea pig cerebral cortex				Bioorg Med Chem 17: 2336-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.012 BindingDB Entry DOI: 10.7270/Q27S7NNR
					More data for this Ligand-Target Pair