BDBM50295287 2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetic acid::CHEMBL1020::MCN-2559::TOLMETIN::Tolectin::[1-Methyl-5-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acetic acid::[1-Methyl-5-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acetic acid(tolmetin)

SMILES: Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C

InChI Key: InChIKey=UPSPUYADGBWSHF-UHFFFAOYSA-N

Data: 9 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 50295287   

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
Cyclooxygenase-1 (COX-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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 Ki 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
Cyclooxygenase (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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 Ki 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
Cyclooxygenase-1 (COX-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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 Ki 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
Cyclooxygenase (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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 Ki 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
Cyclooxygenase (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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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 Ki 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
Glyoxalase 1 (GLO1) (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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
					More data for this Ligand-Target Pair
Glyoxalase 1 (GLO1) (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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
					More data for this Ligand-Target Pair
Glyoxalase 1 (GLO1) (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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
					More data for this Ligand-Target Pair
Serum 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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.00E+14	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
					More data for this Ligand-Target Pair
Aldose reductase (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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
					More data for this Ligand-Target Pair