BDBM50453549 CHEMBL2112932

SMILES: CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)C(O)=O)C1=O)c1ccccc1

InChI Key: InChIKey=PICDFDQFHOVESX-NRFANRHFSA-N

Data: 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 2 hits for monomerid = 50453549   

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 (RAT)	BDBM50453549 (CHEMBL2112932) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H20N4O4/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-24(32)25-17-13-11-16(12-14-17)23(30)31/h2-14,21H,1H3,(H,30,31)(H2,25,27,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.				J Med Chem 37: 722-4 (1994) BindingDB Entry DOI: 10.7270/Q2CN72ZM
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50453549 (CHEMBL2112932) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H20N4O4/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-24(32)25-17-13-11-16(12-14-17)23(30)31/h2-14,21H,1H3,(H,30,31)(H2,25,27,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand				J Med Chem 37: 722-4 (1994) BindingDB Entry DOI: 10.7270/Q2CN72ZM
					More data for this Ligand-Target Pair