SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 257.2
BDBM50295287

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

Found 11 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dallas Department of Veterans Affairs Medical Center Curated by PDSP K_i Database									Am J Med 104: 413-21 (1998) Article DOI: 10.1016/s0002-9343(98)00091-6 BindingDB Entry DOI: 10.7270/Q2F18X97
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dallas Department of Veterans Affairs Medical Center Curated by PDSP K_i Database									Am J Med 104: 413-21 (1998) Article DOI: 10.1016/s0002-9343(98)00091-6 BindingDB Entry DOI: 10.7270/Q2F18X97
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	8.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
Sun Yat-sen University Curated by ChEMBL					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	8.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Inhibition of human glyoxalase 1				Bioorg Med Chem Lett 21: 4243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.05.095 BindingDB Entry DOI: 10.7270/Q23R0T76
Sun Yat-Sen University Curated by ChEMBL					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Discovery Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human serum albumin				J Med Chem 48: 2469-79 (2005) Article DOI: 10.1021/jm049227l BindingDB Entry DOI: 10.7270/Q2125WDN
Molecular Discovery Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.01E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
Sun Yat-sen University Curated by ChEMBL					More data for this Ligand-Target Pair
Interleukin-8 (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Grupo Uriach Curated by ChEMBL					Assay Description Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay				Bioorg Med Chem Lett 19: 4026-30 (2009) Article DOI: 10.1016/j.bmcl.2009.06.027 BindingDB Entry DOI: 10.7270/Q2V124TW
Grupo Uriach Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) aldose reductase				Citation and Details Article DOI: 10.1007/s00044-012-0367-5 BindingDB Entry DOI: 10.7270/Q2XP77VN
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)