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BDBM50404030 CHEMBL297324

SMILES: OC(=O)c1cc(ccc1C1C2C=CC(=O)C=C2Oc2cc(O)ccc12)C(=O)NCCCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N

InChI Key: InChIKey=FFDJCVKDTAJLHP-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404030   
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
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50404030
PNG
(CHEMBL297324)
Show SMILES OC(=O)c1cc(ccc1C1C2C=CC(=O)C=C2Oc2cc(O)ccc12)C(=O)NCCCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:52.58,c:12,16|
Show InChI InChI=1S/C42H46N6O7/c43-27-47-42(46-18-7-21-54-32-9-6-8-28(22-32)26-48-19-4-1-5-20-48)45-17-3-2-16-44-40(51)29-10-13-33(36(23-29)41(52)53)39-34-14-11-30(49)24-37(34)55-38-25-31(50)12-15-35(38)39/h6,8-15,22-25,34,39,50H,1-5,7,16-21,26H2,(H,44,51)(H,52,53)(H2,45,46,47)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 8.91E+3n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium

Bioorg Med Chem Lett 13: 1717-20 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4M0X
More data for this
Ligand-Target Pair