BindingDB logo
myBDB logout

BDBM50410549 CHEMBL433776

SMILES: CCCc1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=CXIIAZUZMXKQBV-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50410549   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
CCKBR


(RAT)		BDBM50410549
PNG
(CHEMBL433776)
Show SMILES CCCc1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O |TLB:15:10:17:14.16.13,15:14:17:10.9.11,11:12:16:10.9.15,THB:11:10:16:12.17.13,13:12:9:14.16.15,13:14:9:12.17.11|
Show InChI InChI=1S/C26H33N3O3/c1-2-4-22-28-21(7-8-26-13-16-9-17(14-26)11-18(10-16)15-26)23(29-22)24(30)27-20-6-3-5-19(12-20)25(31)32/h3,5-6,12,16-18H,2,4,7-11,13-15H2,1H3,(H,27,30)(H,28,29)(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 52.5n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach

J Med Chem 48: 6803-12 (2005)


Article DOI: 10.1021/jm0490686
BindingDB Entry DOI: 10.7270/Q2PV6MM7
More data for this
Ligand-Target Pair