BindingDB logo
myBDB logout

BDBM50410563 CHEMBL196580

SMILES: Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=UOENESGQJOIQSX-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 = 50410563   
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)		BDBM50410563
PNG
(CHEMBL196580)
Show SMILES Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O |TLB:19:14:21:18.20.17,19:18:21:14.13.15,THB:17:16:13:18.20.19,17:18:13:16.21.15|
Show InChI InChI=1S/C30H33N3O3/c1-18-5-2-3-8-24(18)27-32-25(9-10-30-15-19-11-20(16-30)13-21(12-19)17-30)26(33-27)28(34)31-23-7-4-6-22(14-23)29(35)36/h2-8,14,19-21H,9-13,15-17H2,1H3,(H,31,34)(H,32,33)(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 58.9n/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