BDBM50140321 (S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phenyl]-propionic acid::CHEMBL441414

SMILES: C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1

InChI Key: InChIKey=SHAHPWSYJFYMRX-GDLCADMTSA-N

Data: 6 IC50

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 6 hits for monomerid = 50140321   

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))	BDBM50140321 ((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...) Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay				Bioorg Med Chem Lett 14: 1201-3 (2004) Article DOI: 10.1016/j.bmcl.2003.12.047 BindingDB Entry DOI: 10.7270/Q27P8XTN
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50140321 ((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...) Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as TXB2 biosynthesis after 24 hrs by EIA				J Med Chem 53: 7879-82 (2010) Article DOI: 10.1021/jm101116s BindingDB Entry DOI: 10.7270/Q2WS8TGV
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50140321 ((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...) Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 1201-3 (2004) Article DOI: 10.1016/j.bmcl.2003.12.047 BindingDB Entry DOI: 10.7270/Q27P8XTN
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50140321 ((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...) Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as PGE2 biosynthesis after 24 hrs by EIA				J Med Chem 53: 7879-82 (2010) Article DOI: 10.1021/jm101116s BindingDB Entry DOI: 10.7270/Q2WS8TGV
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50140321 ((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...) Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 14: 1201-3 (2004) Article DOI: 10.1016/j.bmcl.2003.12.047 BindingDB Entry DOI: 10.7270/Q27P8XTN
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50140321 ((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...) Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory potency against cyclooxygenase-2 in human whole blood assay				Bioorg Med Chem Lett 14: 1201-3 (2004) Article DOI: 10.1016/j.bmcl.2003.12.047 BindingDB Entry DOI: 10.7270/Q27P8XTN
					More data for this Ligand-Target Pair