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BDBM50052311 Acetic acid (4R,5R)-7-chloro-1-dimethylaminomethyl-5-phenyl-4,5-dihydro-6-thia-10b-aza-benzo[e]azulen-4-yl ester::CHEMBL100709

SMILES: CN(C)Cc1ccc2[C@@H](OC(C)=O)[C@H](Sc3c(Cl)cccc3-n12)c1ccccc1

InChI Key: InChIKey=JGXAGHYDVHPDLO-FGZHOGPDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052311   
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
Calcium channel


(RAT)		BDBM50052311
PNG
(Acetic acid (4R,5R)-7-chloro-1-dimethylaminomethyl...)
Show SMILES CN(C)Cc1ccc2[C@@H](OC(C)=O)[C@H](Sc3c(Cl)cccc3-n12)c1ccccc1
Show InChI InChI=1S/C23H23ClN2O2S/c1-15(27)28-21-19-13-12-17(14-25(2)3)26(19)20-11-7-10-18(24)23(20)29-22(21)16-8-5-4-6-9-16/h4-13,21-22H,14H2,1-3H3/t21-,22-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.

J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair