BindingDB logo
myBDB logout

BDBM32358 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester::2-chloro-5-piperidinosulfonyl-benzoic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester::MLS001002843::SMR000370809::[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate::[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate::cid_2438071

SMILES: Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1

InChI Key: InChIKey=PTPRILYGRSXZTF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 32358   
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
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM32358
PNG
(2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-...)
Show SMILES Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22ClN3O6S/c1-23-9-5-6-17(23)19(26)22-18(25)13-30-20(27)15-12-14(7-8-16(15)21)31(28,29)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11,13H2,1H3,(H,22,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.223



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FJ2F43
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM32358
PNG
(2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-...)
Show SMILES Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22ClN3O6S/c1-23-9-5-6-17(23)19(26)22-18(25)13-30-20(27)15-12-14(7-8-16(15)21)31(28,29)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11,13H2,1H3,(H,22,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZG6QNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM32358
PNG
(2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-...)
Show SMILES Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22ClN3O6S/c1-23-9-5-6-17(23)19(26)22-18(25)13-30-20(27)15-12-14(7-8-16(15)21)31(28,29)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11,13H2,1H3,(H,22,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2DV1H9K
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM32358
PNG
(2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-...)
Show SMILES Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22ClN3O6S/c1-23-9-5-6-17(23)19(26)22-18(25)13-30-20(27)15-12-14(7-8-16(15)21)31(28,29)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11,13H2,1H3,(H,22,25,26)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


Article DOI: 10.1021/cc020096o
BindingDB Entry DOI: 10.7270/Q2JM282R
More data for this
Ligand-Target Pair