BindingDB logo
myBDB logout

BDBM50322960 (2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamido)-3-methylpentanoate::CHEMBL1210266

SMILES: CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C2c2ccc(Cl)cc2)c2cccc(F)c2)CC1)C(=O)OC

InChI Key: InChIKey=ZLEWURJVFDNZRR-VHXBAKGZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50322960   
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-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322960
PNG
((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluoroph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C2c2ccc(Cl)cc2)c2cccc(F)c2)CC1)C(=O)OC |r|
Show InChI InChI=1S/C27H33ClFN3O3/c1-4-18(2)23(25(33)35-3)30-26(34)31-14-12-27(13-15-31)17-32(22-7-5-6-21(29)16-22)24(27)19-8-10-20(28)11-9-19/h5-11,16,18,23-24H,4,12-15,17H2,1-3H3,(H,30,34)/t18-,23-,24?/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50322960
PNG
((2S,3S)-methyl 2-(1-(4-chlorophenyl)-2-(3-fluoroph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C2c2ccc(Cl)cc2)c2cccc(F)c2)CC1)C(=O)OC |r|
Show InChI InChI=1S/C27H33ClFN3O3/c1-4-18(2)23(25(33)35-3)30-26(34)31-14-12-27(13-15-31)17-32(22-7-5-6-21(29)16-22)24(27)19-8-10-20(28)11-9-19/h5-11,16,18,23-24H,4,12-15,17H2,1-3H3,(H,30,34)/t18-,23-,24?/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 146n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay


Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair