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BDBM50410547 CHEMBL197873

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

InChI Key: InChIKey=DWIACYULJQEKIS-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410547   
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)		BDBM50410547
PNG
(CHEMBL197873)
Show SMILES Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(CCC(O)=O)c1 |TLB:19:18:21:14.13.15,19:14:21:18.20.17,15:16:20:14.13.19,THB:15:14:20:16.21.17,17:18:13:16.21.15,17:16:13:18.20.19|
Show InChI InChI=1S/C32H37N3O3/c1-20-5-2-3-8-26(20)30-34-27(11-12-32-17-22-13-23(18-32)15-24(14-22)19-32)29(35-30)31(38)33-25-7-4-6-21(16-25)9-10-28(36)37/h2-8,16,22-24H,9-15,17-19H2,1H3,(H,33,38)(H,34,35)(H,36,37)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 501n/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