Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'meena' and Initial = 's'   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat adenosine A1 receptor				Eur J Med Chem 43: 614-20 (2008) Article DOI: 10.1016/j.ejmech.2007.05.001 BindingDB Entry DOI: 10.7270/Q22Z15BT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from rat adenosine A2A receptor				Eur J Med Chem 43: 614-20 (2008) Article DOI: 10.1016/j.ejmech.2007.05.001 BindingDB Entry DOI: 10.7270/Q22Z15BT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50260483 (5-Ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][...) Show SMILES CCc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12 Show InChI InChI=1S/C13H14N4S2/c1-2-9-14-12-10(11-15-16-13(18)17(9)11)7-5-3-4-6-8(7)19-12/h2-6H2,1H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat adenosine A1 receptor				Eur J Med Chem 43: 614-20 (2008) Article DOI: 10.1016/j.ejmech.2007.05.001 BindingDB Entry DOI: 10.7270/Q22Z15BT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50260482 (5-Ethyl-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4...) Show SMILES CCc1nc2sc(C)c(C)c2c2n[nH]c(=S)n12 Show InChI InChI=1S/C11H12N4S2/c1-4-7-12-10-8(5(2)6(3)17-10)9-13-14-11(16)15(7)9/h4H2,1-3H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat adenosine A1 receptor				Eur J Med Chem 43: 614-20 (2008) Article DOI: 10.1016/j.ejmech.2007.05.001 BindingDB Entry DOI: 10.7270/Q22Z15BT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50260481 (5-Methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e]...) Show SMILES Cc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12 Show InChI InChI=1S/C12H12N4S2/c1-6-13-11-9(10-14-15-12(17)16(6)10)7-4-2-3-5-8(7)18-11/h2-5H2,1H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat adenosine A1 receptor				Eur J Med Chem 43: 614-20 (2008) Article DOI: 10.1016/j.ejmech.2007.05.001 BindingDB Entry DOI: 10.7270/Q22Z15BT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50608608 (THIOINOSINE | Thioinosine) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(S)ncnc12 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50423778 (Leukerin | MERCAPTOPURINE | Mercaleukin | Mercapto...) Show SMILES S=c1[nH]cnc2nc[nH]c12 Show InChI InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem		1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50200099 (2-Amino-1,7-dihydro-purine-6-thione | 2-Amino-1,9-...) Show SMILES Nc1nc2nc[nH]c2c(=S)[nH]1 Show InChI InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents		5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50373919 (AZATHIOPRINE | Azasan) Show SMILES Cn1cnc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O Show InChI InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem		>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384362 (US9932327, Compound 33) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384375 (US9932327, Compound 34) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384362 (US9932327, Compound 33) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384357 (US9932327, Compound Flavopiridol) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384376 (US9932327, Compound 35) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384357 (US9932327, Compound Flavopiridol) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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 Similars	DrugBank PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM50515743 (CHEMBL4448990) Show SMILES CC(=O)N(C1=CC(=O)CCC1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C14H14ClNO2/c1-10(17)16(12-7-5-11(15)6-8-12)13-3-2-4-14(18)9-13/h5-9H,2-4H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50019936 (CHEMBL3287559) Show SMILES Oc1ccc(cc1Cl)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C19H12ClNO2/c20-15-11-12(9-10-17(15)22)13-5-1-2-6-14(13)19-21-16-7-3-4-8-18(16)23-19/h1-11,22H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384376 (US9932327, Compound 35) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	466	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM50515744 (CHEMBL4441570) Show SMILES Clc1ccc(NC2=CC(=O)CCC2)cc1 |t:6| Show InChI InChI=1S/C12H12ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384315 (US9932327, Compound Rohitukine (1)) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O Show InChI InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384375 (US9932327, Compound 34) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50019935 (CHEMBL3287567) Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C20H14ClNO2/c1-23-18-11-10-13(12-16(18)21)14-6-2-3-7-15(14)20-22-17-8-4-5-9-19(17)24-20/h2-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM50515745 (CHEMBL4474644) Show SMILES CC(C)(C)OC(=O)N(C1=CC(=O)CCC1)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C17H20ClNO3/c1-17(2,3)22-16(21)19(13-9-7-12(18)8-10-13)14-5-4-6-15(20)11-14/h7-11H,4-6H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	915	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50019937 (CHEMBL3287560) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C20H15NO3S/c1-25(22,23)15-12-10-14(11-13-15)16-6-2-3-7-17(16)20-21-18-8-4-5-9-19(18)24-20/h2-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384315 (US9932327, Compound Rohitukine (1)) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O Show InChI InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50247903 (Amithiozone | Thiacetazone | Thioacetazone) Show SMILES CC(=O)Nc1ccc(\C=N\NC(N)=S)cc1 Show InChI InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50608606 (AMBAZONE | Ambazone | Faringosept) Show SMILES [#7]-[#6](=[#7])-[#7]\[#7]=[#6]-1/[#6]=[#6]\[#6](\[#6]=[#6]-1)=[#7]/[#7]-[#6](-[#7])=S |c:6,9| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX1 (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Ovis aries)	BDBM50515745 (CHEMBL4474644) Show SMILES CC(C)(C)OC(=O)N(C1=CC(=O)CCC1)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C17H20ClNO3/c1-17(2,3)22-16(21)19(13-9-7-12(18)8-10-13)14-5-4-6-15(20)11-14/h7-11H,4-6H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50523087 (CHEMBL4458477) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(O)=O |r| Show InChI InChI=1S/C30H55N9O8S/c1-16(2)14-20(25(42)35-19(29(46)47)10-13-48-5)36-26(43)21(15-40)37-27(44)22-9-7-12-39(22)28(45)23(17(3)4)38-24(41)18(31)8-6-11-34-30(32)33/h16-23,40H,6-15,31H2,1-5H3,(H,35,42)(H,36,43)(H,37,44)(H,38,41)(H,46,47)(H4,32,33,34)/t18-,19-,20-,21-,22-,23-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goa University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) incubated for 20 mins before pNPG substrate addition and measured after 30 mins by UV spectrometry				Bioorg Med Chem 27: 2340-2344 (2019) Article DOI: 10.1016/j.bmc.2018.12.021 BindingDB Entry DOI: 10.7270/Q2Q243N3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Ovis aries)	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Ovis aries)	BDBM50515744 (CHEMBL4441570) Show SMILES Clc1ccc(NC2=CC(=O)CCC2)cc1 |t:6| Show InChI InChI=1S/C12H12ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Ovis aries)	BDBM50515743 (CHEMBL4448990) Show SMILES CC(=O)N(C1=CC(=O)CCC1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C14H14ClNO2/c1-10(17)16(12-7-5-11(15)6-8-12)13-3-2-4-14(18)9-13/h5-9H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50019937 (CHEMBL3287560) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C20H15NO3S/c1-25(22,23)15-12-10-14(11-13-15)16-6-2-3-7-17(16)20-21-18-8-4-5-9-19(18)24-20/h2-13H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50019936 (CHEMBL3287559) Show SMILES Oc1ccc(cc1Cl)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C19H12ClNO2/c20-15-11-12(9-10-17(15)22)13-5-1-2-6-14(13)19-21-16-7-3-4-8-18(16)23-19/h1-11,22H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50019935 (CHEMBL3287567) Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C20H14ClNO2/c1-23-18-11-10-13(12-16(18)21)14-6-2-3-7-15(14)20-22-17-8-4-5-9-19(17)24-20/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50022184 (7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...) Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12 Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goa University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) incubated for 20 mins before pNPG substrate addition and measured after 30 mins by UV spectrometry				Bioorg Med Chem 27: 2340-2344 (2019) Article DOI: 10.1016/j.bmc.2018.12.021 BindingDB Entry DOI: 10.7270/Q2Q243N3
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Cn1cc[nH]c1=S Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents		n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50608607 (CHEBI:348530 | THIOURACIL | Thiouracil) Show SMILES O=c1cc[nH]c(=S)[nH]1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PDB UniChem		n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50239994 (CHEBI:82346 | Methylthiouracil) Show SMILES Cc1cc(=O)[nH]c(=S)[nH]1 Show InChI InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars		n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50133597 (CHEBI:8502 | Propacil | Propylthiouracil | Prothyr...) Show SMILES CCCc1cc(=O)[nH]c(=S)[nH]1 Show InChI InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents		n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50275889 (CHEMBL508102 | carbimazole) Show SMILES CCOC(=O)n1ccn(C)c1=S Show InChI InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars		n/a	n/a	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair