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BDBM50410552 CHEMBL198933

SMILES: OC(=O)c1cccc(NC(=O)c2[nH]c(nc2COC23CC4CC(CC(C4)C2)C3)C23CCC(CC2)CC3)c1

InChI Key: InChIKey=KLDWQAKTWGNFLF-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410552   
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)		BDBM50410552
PNG
(CHEMBL198933)
Show SMILES OC(=O)c1cccc(NC(=O)c2[nH]c(nc2COC23CC4CC(CC(C4)C2)C3)C23CCC(CC2)CC3)c1 |TLB:25:20:27:24.26.23,25:24:27:20.19.21,21:22:26:20.19.25,THB:21:20:26:22.27.23,23:22:19:24.26.25,23:24:19:22.27.21|
Show InChI InChI=1S/C30H37N3O4/c34-26(31-23-3-1-2-22(13-23)27(35)36)25-24(32-28(33-25)29-7-4-18(5-8-29)6-9-29)17-37-30-14-19-10-20(15-30)12-21(11-19)16-30/h1-3,13,18-21H,4-12,14-17H2,(H,31,34)(H,32,33)(H,35,36)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.708n/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