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BDBM50410561 CHEMBL426290

SMILES: OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2CCCC2)c1

InChI Key: InChIKey=SWOWFWBJUIRCIU-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410561   
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)		BDBM50410561
PNG
(CHEMBL426290)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)C2CCCC2)c1 |TLB:21:22:26:20.19.25,25:24:27:20.19.21,25:20:27:24.26.23,THB:21:20:26:22.27.23,23:22:19:24.26.25,23:24:19:22.27.21|
Show InChI InChI=1S/C28H35N3O3/c32-26(29-22-7-3-6-21(13-22)27(33)34)24-23(30-25(31-24)20-4-1-2-5-20)8-9-28-14-17-10-18(15-28)12-19(11-17)16-28/h3,6-7,13,17-20H,1-2,4-5,8-12,14-16H2,(H,29,32)(H,30,31)(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 7.08n/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