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BDBM50000343 Acetic acid 4-(4-methoxy-phenyl)-1-methylcarbamoylmethyl-2-oxo-6-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl ester::CHEMBL351402

SMILES: CNC(=O)CN1c2cccc(c2C[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OC)cc1)C(F)(F)F

InChI Key: InChIKey=LREXKLXPBKWJTJ-HRAATJIYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000343   
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
Voltage-gated L-type calcium channel


(Homo sapiens (Human))		BDBM50000343
PNG
(Acetic acid 4-(4-methoxy-phenyl)-1-methylcarbamoyl...)
Show SMILES CNC(=O)CN1c2cccc(c2C[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O5/c1-13(29)33-21-16(14-7-9-15(32-3)10-8-14)11-17-18(23(24,25)26)5-4-6-19(17)28(22(21)31)12-20(30)27-2/h4-10,16,21H,11-12H2,1-3H3,(H,27,30)/t16-,21+/m0/s1
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Similars
PubMed
n/an/an/a 1.50E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair