Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 248.3 BDBM50140321Purchase

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

Found 12 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
Cytochrome c oxidase subunit 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114258 BindingDB Entry DOI: 10.7270/Q2KS6WMX
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114258 BindingDB Entry DOI: 10.7270/Q2KS6WMX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 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 MCE 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
Cytochrome c oxidase subunit 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114258 BindingDB Entry DOI: 10.7270/Q2KS6WMX
					More data for this Ligand-Target Pair
Prostaglandin 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 MCE 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
Cytochrome c oxidase subunit 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114258 BindingDB Entry DOI: 10.7270/Q2KS6WMX
					More data for this Ligand-Target Pair
Prostaglandin 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 MCE 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
Cytochrome c oxidase subunit 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114258 BindingDB Entry DOI: 10.7270/Q2KS6WMX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 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 MCE 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
Prostaglandin G/H synthase 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 MCE 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
Cytochrome c oxidase subunit 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114258 BindingDB Entry DOI: 10.7270/Q2KS6WMX
					More data for this Ligand-Target Pair
Prostaglandin 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 MCE 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