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BDBM77437 1-({[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}carbonyl)propyl N-benzoylleucinate::2-[2-(2-benzamido-4-methyl-pentanoyl)oxybutanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester::2-[[2-(2-benzamido-4-methyl-1-oxopentoxy)-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester::MLS000575128::SMR000196362::cid_2915100::ethyl 2-[2-(2-benzamido-4-methyl-pentanoyl)oxybutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate::ethyl 2-[2-(2-benzamido-4-methylpentanoyl)oxybutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

SMILES: CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)C(CC(C)C)NC(=O)c2ccccc2)nc1C

InChI Key: InChIKey=NDSDAZLQEHREEM-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 77437   
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
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM77437
PNG
(1-({[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]...)
Show SMILES CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)C(CC(C)C)NC(=O)c2ccccc2)nc1C
Show InChI InChI=1S/C24H31N3O6S/c1-6-18(21(29)27-24-25-15(5)19(34-24)23(31)32-7-2)33-22(30)17(13-14(3)4)26-20(28)16-11-9-8-10-12-16/h8-12,14,17-18H,6-7,13H2,1-5H3,(H,26,28)(H,25,27,29)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 860n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7A1


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM77437
PNG
(1-({[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]...)
Show SMILES CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)C(CC(C)C)NC(=O)c2ccccc2)nc1C
Show InChI InChI=1S/C24H31N3O6S/c1-6-18(21(29)27-24-25-15(5)19(34-24)23(31)32-7-2)33-22(30)17(13-14(3)4)26-20(28)16-11-9-8-10-12-16/h8-12,14,17-18H,6-7,13H2,1-5H3,(H,26,28)(H,25,27,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.20E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair