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BDBM71446 2-benzylsulfonyl-5-chloro-N-(3-methylphenyl)pyrimidine-4-carboxamide::2-benzylsulfonyl-5-chloro-N-(m-tolyl)pyrimidine-4-carboxamide::5-chloranyl-N-(3-methylphenyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide::5-chloro-N-(3-methylphenyl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide::MLS001116175::SMR000625762::cid_16446369

SMILES: Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1

InChI Key: InChIKey=IJHGXCWLIPZSQM-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 71446   
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
Toll-like receptor 9


(Homo sapiens (Human))
BDBM71446
PNG
(2-benzylsulfonyl-5-chloro-N-(3-methylphenyl)pyrimi...)
Show SMILES Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-6-5-9-15(10-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,24)
UniProtKB/SwissProt

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PCBioAssay
n/an/a 9.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family B member 6, mitochondrial


(Homo sapiens (Human))
BDBM71446
PNG
(2-benzylsulfonyl-5-chloro-N-(3-methylphenyl)pyrimi...)
Show SMILES Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-6-5-9-15(10-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PCBioAssay
n/an/an/an/a 2.15E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM71446
PNG
(2-benzylsulfonyl-5-chloro-N-(3-methylphenyl)pyrimi...)
Show SMILES Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-6-5-9-15(10-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PCBioAssay
n/an/a 5.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair