BDBM58598 4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carbonyl]amino]benzoic acid methyl ester::4-[[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester::MLS001116149::SMR000625799::cid_16452489::methyl 4-[[5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidin-4-yl]carbonylamino]benzoate::methyl 4-[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carbonyl]amino]benzoate

SMILES: COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1

InChI Key: InChIKey=ARWIDGMDPXFYEV-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 58598   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM58598 (4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine...) Show SMILES COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1 Show InChI InChI=1S/C21H18ClN3O5S/c1-13-4-3-5-14(10-13)12-31(28,29)21-23-11-17(22)18(25-21)19(26)24-16-8-6-15(7-9-16)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family B member 6, mitochondrial (Homo sapiens (Human))	BDBM58598 (4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine...) Show SMILES COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1 Show InChI InChI=1S/C21H18ClN3O5S/c1-13-4-3-5-14(10-13)12-31(28,29)21-23-11-17(22)18(25-21)19(26)24-16-8-6-15(7-9-16)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.42E+4	n/a	n/a	n/a	n/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)	BDBM58598 (4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine...) Show SMILES COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1 Show InChI InChI=1S/C21H18ClN3O5S/c1-13-4-3-5-14(10-13)12-31(28,29)21-23-11-17(22)18(25-21)19(26)24-16-8-6-15(7-9-16)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM58598 (4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine...) Show SMILES COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1 Show InChI InChI=1S/C21H18ClN3O5S/c1-13-4-3-5-14(10-13)12-31(28,29)21-23-11-17(22)18(25-21)19(26)24-16-8-6-15(7-9-16)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/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