BDBM85139 CCK-A Agonist 37

SMILES: CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1

InChI Key: InChIKey=PKHVPLITWFVWGV-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 85139   

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))	BDBM85139 (CCK-A Agonist 37) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 Show InChI InChI=1S/C34H31N5O3/c1-23(2)38(24-13-5-3-6-14-24)32(40)22-37-30-19-11-12-20-31(30)39(25-15-7-4-8-16-25)34(42)27(33(37)41)21-29-26-17-9-10-18-28(26)35-36-29/h3-20,23,27H,21-22H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	87.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by PDSP Ki Database									J Med Chem 40: 2706-25 (1997) Article DOI: 10.1021/jm970265x BindingDB Entry DOI: 10.7270/Q27M06F9
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM85139 (CCK-A Agonist 37) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 Show InChI InChI=1S/C34H31N5O3/c1-23(2)38(24-13-5-3-6-14-24)32(40)22-37-30-19-11-12-20-31(30)39(25-15-7-4-8-16-25)34(42)27(33(37)41)21-29-26-17-9-10-18-28(26)35-36-29/h3-20,23,27H,21-22H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by PDSP Ki Database									J Med Chem 40: 2706-25 (1997) Article DOI: 10.1021/jm970265x BindingDB Entry DOI: 10.7270/Q27M06F9
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM85139 (CCK-A Agonist 37) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 Show InChI InChI=1S/C34H31N5O3/c1-23(2)38(24-13-5-3-6-14-24)32(40)22-37-30-19-11-12-20-31(30)39(25-15-7-4-8-16-25)34(42)27(33(37)41)21-29-26-17-9-10-18-28(26)35-36-29/h3-20,23,27H,21-22H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against human Cholecystokinin type B receptor by displacement of [125I]CCK-8				J Med Chem 39: 2655-8 (1996) Article DOI: 10.1021/jm960249k BindingDB Entry DOI: 10.7270/Q2JQ126Q
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM85139 (CCK-A Agonist 37) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1 Show InChI InChI=1S/C34H31N5O3/c1-23(2)38(24-13-5-3-6-14-24)32(40)22-37-30-19-11-12-20-31(30)39(25-15-7-4-8-16-25)34(42)27(33(37)41)21-29-26-17-9-10-18-28(26)35-36-29/h3-20,23,27H,21-22H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Binding affinity against human Cholecystokinin type A receptor by displacement of [125I]CCK-8				J Med Chem 39: 2655-8 (1996) Article DOI: 10.1021/jm960249k BindingDB Entry DOI: 10.7270/Q2JQ126Q
					More data for this Ligand-Target Pair