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BDBM50053895 Allyl-(9-allyl-2-{4-[(2,3,4-trimethoxy-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylmethyl)-amino]-piperidin-1-yl}-9H-purin-6-yl)-amine::CHEMBL336560

SMILES: COc1cc2CCc3ccccc3C(CNC3CCN(CC3)c3nc(NCC=C)c4ncn(CC=C)c4n3)c2c(OC)c1OC

InChI Key: InChIKey=GLGUOWFHHASVGA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053895   
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


(Rattus norvegicus)		BDBM50053895
PNG
(Allyl-(9-allyl-2-{4-[(2,3,4-trimethoxy-10,11-dihyd...)
Show SMILES COc1cc2CCc3ccccc3C(CNC3CCN(CC3)c3nc(NCC=C)c4ncn(CC=C)c4n3)c2c(OC)c1OC
Show InChI InChI=1S/C35H43N7O3/c1-6-16-36-33-30-34(42(17-7-2)22-38-30)40-35(39-33)41-18-14-25(15-19-41)37-21-27-26-11-9-8-10-23(26)12-13-24-20-28(43-3)31(44-4)32(45-5)29(24)27/h6-11,20,22,25,27,37H,1-2,12-19,21H2,3-5H3,(H,36,39,40)
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Similars
Article
PubMed
 99n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle

J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair