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BDBM50410560 CHEMBL196745

SMILES: Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2cccc(c2)C(O)=O)c(C)c1

InChI Key: InChIKey=ZEGDFKWCWZUXQX-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410560   
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)		BDBM50410560
PNG
(CHEMBL196745)
Show SMILES Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2cccc(c2)C(O)=O)c(C)c1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C32H37N3O3/c1-18-9-19(2)27(20(3)10-18)29-34-26(7-8-32-15-21-11-22(16-32)13-23(12-21)17-32)28(35-29)30(36)33-25-6-4-5-24(14-25)31(37)38/h4-6,9-10,14,21-23H,7-8,11-13,15-17H2,1-3H3,(H,33,36)(H,34,35)(H,37,38)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 8.71n/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