BDBM37271 1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2-sulfamoylphenyl)quinoline-3-carboxamide::2-hydroxy-1-(2-methylpropyl)-4-oxo-N-(2-sulfamoylphenyl)-3-quinolinecarboxamide::2-hydroxy-1-(2-methylpropyl)-4-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide::2-hydroxy-1-isobutyl-4-keto-N-(2-sulfamoylphenyl)quinoline-3-carboxamide::CHEMBL197014::MLS000106809::SMR000111185::cid_1370032::cid_54676686

SMILES: CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O

InChI Key: InChIKey=MLWAJOFPYWTUTE-UHFFFAOYSA-N

Data: 6 IC50  4 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 10 hits for monomerid = 37271   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25X2795
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2251GJ9
					More data for this Ligand-Target Pair
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL 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
Integrase (Human immunodeficiency virus 1)	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by PAGE				Bioorg Med Chem 17: 2925-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.088 BindingDB Entry DOI: 10.7270/Q2D50QS2
					More data for this Ligand-Target Pair
hypothetical protein SA1422 (Staphylococcus aureus subsp. aureus N315)	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of 3'-processing catalytic activity HIV1 integrase				J Med Chem 48: 8009-15 (2005) Article DOI: 10.1021/jm050837a BindingDB Entry DOI: 10.7270/Q2GX4B4Q
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of strand transfer catalytic activity HIV1 integrase				J Med Chem 48: 8009-15 (2005) Article DOI: 10.1021/jm050837a BindingDB Entry DOI: 10.7270/Q2GX4B4Q
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3' processing activity by PAGE				Bioorg Med Chem 17: 2925-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.088 BindingDB Entry DOI: 10.7270/Q2D50QS2
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair