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BDBM50256073 (S)-2-((1s,4R)-4-tert-butylcyclohexyl)-2-(3-(3-(2,4,6-trichlorophenyl)ureido)-2-naphthamido)acetic acid::CHEMBL480733

SMILES: CC(C)(C)[C@@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O

InChI Key: InChIKey=LSCFRJCNVBODAO-WEVXLUSXSA-N

Data: 3 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 3 hits for monomerid = 50256073   
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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50256073
PNG
((S)-2-((1s,4R)-4-tert-butylcyclohexyl)-2-(3-(3-(2,...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C30H32Cl3N3O4/c1-30(2,3)19-10-8-16(9-11-19)25(28(38)39)35-27(37)21-12-17-6-4-5-7-18(17)13-24(21)34-29(40)36-26-22(32)14-20(31)15-23(26)33/h4-7,12-16,19,25H,8-11H2,1-3H3,(H,35,37)(H,38,39)(H2,34,36,40)/t16-,19+,25-/m0/s1
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Article
PubMed
n/an/a 556n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50256073
PNG
((S)-2-((1s,4R)-4-tert-butylcyclohexyl)-2-(3-(3-(2,...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C30H32Cl3N3O4/c1-30(2,3)19-10-8-16(9-11-19)25(28(38)39)35-27(37)21-12-17-6-4-5-7-18(17)13-24(21)34-29(40)36-26-22(32)14-20(31)15-23(26)33/h4-7,12-16,19,25H,8-11H2,1-3H3,(H,35,37)(H,38,39)(H2,34,36,40)/t16-,19+,25-/m0/s1
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Article
PubMed
n/an/a 210n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50256073
PNG
((S)-2-((1s,4R)-4-tert-butylcyclohexyl)-2-(3-(3-(2,...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C30H32Cl3N3O4/c1-30(2,3)19-10-8-16(9-11-19)25(28(38)39)35-27(37)21-12-17-6-4-5-7-18(17)13-24(21)34-29(40)36-26-22(32)14-20(31)15-23(26)33/h4-7,12-16,19,25H,8-11H2,1-3H3,(H,35,37)(H,38,39)(H2,34,36,40)/t16-,19+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair