Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.8 BDBM71446Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase (Pseudomonas aeruginosa)	BDBM71446 (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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.51E+3	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))	BDBM71446 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.41E+3	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
ATP-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM71446 (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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.15E+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