BDBM50422151 CHEMBL88239

SMILES: CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1

InChI Key: InChIKey=GJGGQFHEPYGYPC-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 50422151   

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))	BDBM50422151 (CHEMBL88239) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C35H34N4O4/c1-25(2)38(27-17-9-5-10-18-27)32(41)24-37-29-21-13-14-22-30(29)39(28-19-11-6-12-20-28)34(43)35(3,33(37)42)23-31(40)36-26-15-7-4-8-16-26/h4-22,25H,23-24H2,1-3H3,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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				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))	BDBM50422151 (CHEMBL88239) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C35H34N4O4/c1-25(2)38(27-17-9-5-10-18-27)32(41)24-37-29-21-13-14-22-30(29)39(28-19-11-6-12-20-28)34(43)35(3,33(37)42)23-31(40)36-26-15-7-4-8-16-26/h4-22,25H,23-24H2,1-3H3,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.32E+3	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				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))	BDBM50422151 (CHEMBL88239) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C35H34N4O4/c1-25(2)38(27-17-9-5-10-18-27)32(41)24-37-29-21-13-14-22-30(29)39(28-19-11-6-12-20-28)34(43)35(3,33(37)42)23-31(40)36-26-15-7-4-8-16-26/h4-22,25H,23-24H2,1-3H3,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50422151 (CHEMBL88239) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C35H34N4O4/c1-25(2)38(27-17-9-5-10-18-27)32(41)24-37-29-21-13-14-22-30(29)39(28-19-11-6-12-20-28)34(43)35(3,33(37)42)23-31(40)36-26-15-7-4-8-16-26/h4-22,25H,23-24H2,1-3H3,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.32E+3	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 in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand				J Med Chem 39: 3030-4 (1996) Article DOI: 10.1021/jm960205b BindingDB Entry DOI: 10.7270/Q26H4JPR
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50422151 (CHEMBL88239) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C35H34N4O4/c1-25(2)38(27-17-9-5-10-18-27)32(41)24-37-29-21-13-14-22-30(29)39(28-19-11-6-12-20-28)34(43)35(3,33(37)42)23-31(40)36-26-15-7-4-8-16-26/h4-22,25H,23-24H2,1-3H3,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50422151 (CHEMBL88239) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(CC(=O)Nc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C35H34N4O4/c1-25(2)38(27-17-9-5-10-18-27)32(41)24-37-29-21-13-14-22-30(29)39(28-19-11-6-12-20-28)34(43)35(3,33(37)42)23-31(40)36-26-15-7-4-8-16-26/h4-22,25H,23-24H2,1-3H3,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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 in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of hum...				J Med Chem 39: 3030-4 (1996) Article DOI: 10.1021/jm960205b BindingDB Entry DOI: 10.7270/Q26H4JPR
					More data for this Ligand-Target Pair