Compile Data Set for Download or QSAR

Found 777 hits with Last Name = 'lian' and Initial = 'f'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100717 (2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...) Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100715 (2-(6-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...) Show SMILES Brc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143320 ((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...) Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100707 ((R)-2-(6-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...) Show SMILES Fc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100717 (2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...) Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143320 ((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...) Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100712 (2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...) Show SMILES Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.190	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100706 (2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...) Show SMILES CN1CCCC1c1ccc(Br)nc1 Show InChI InChI=1S/C10H13BrN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100712 (2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...) Show SMILES Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50078056 (2-Chloro-5-(1-methyl-pyrrolidin-2-yl)-pyridine | C...) Show SMILES CN1CCCC1c1ccc(Cl)nc1 Show InChI InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM200723 (US9233086, 10L) Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Sci-Tech University Curated by ChEMBL					Assay Description Displacement of 5-FAM labelled tracer from WDR5 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 29: 638-645 (2019) Article DOI: 10.1016/j.bmcl.2018.12.035 BindingDB Entry DOI: 10.7270/Q26W9FC5
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM200712 (US9233086, 10A) Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H51N7O4/c1-5-34(6-2,41-29(43)24(3)4)31(45)39-27(20-15-23-38-33(36)37)30(44)42-35(21-13-14-22-35)32(46)40-28(25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-12,16-19,24,27-28H,5-6,13-15,20-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)(H4,36,37,38)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Sci-Tech University Curated by ChEMBL					Assay Description Displacement of 5-FAM labelled tracer from WDR5 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 29: 638-645 (2019) Article DOI: 10.1016/j.bmcl.2018.12.035 BindingDB Entry DOI: 10.7270/Q26W9FC5
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM200722 (US9233086, 10K) Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H49Cl2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Sci-Tech University Curated by ChEMBL					Assay Description Displacement of 5-FAM labelled tracer from WDR5 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 29: 638-645 (2019) Article DOI: 10.1016/j.bmcl.2018.12.035 BindingDB Entry DOI: 10.7270/Q26W9FC5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100709 (2-Fluoro-5-(1-methyl-pyrrolidin-2-yl)-pyridine | C...) Show SMILES CN1CCCC1c1ccc(F)nc1 Show InChI InChI=1S/C10H13FN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100713 (5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ylamin...) Show SMILES Nc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100708 (5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridine-2-sulfo...) Show SMILES FC(F)(F)OS(=O)(=O)c1ccc(cn1)C1CC2CCC1N2 |THB:11:14:20:18.17| Show InChI InChI=1S/C12H13F3N2O3S/c13-12(14,15)20-21(18,19)11-4-1-7(6-16-11)9-5-8-2-3-10(9)17-8/h1,4,6,8-10,17H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50174201 (ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...) Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	20	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100711 (CHEMBL56677 | [5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-p...) Show SMILES CN(C)c1ccc(cn1)C1CC2CCC1N2 |THB:6:9:15:13.12| Show InChI InChI=1S/C13H19N3/c1-16(2)13-6-3-9(8-14-13)11-7-10-4-5-12(11)15-10/h3,6,8,10-12,15H,4-5,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50174201 (ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...) Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	38	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	42	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				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50022271 (2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...) Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	47	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
Coagulation factor X (Homo sapiens (Human))	BDBM50292901 (CHEMBL454373 | N-(3-((4'-(trifluoromethyl)biphenyl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1 Show InChI InChI=1S/C26H25F3N2O2/c27-26(28,29)22-10-8-20(9-11-22)19-6-4-18(5-7-19)17-33-24-3-1-2-23(16-24)31-25(32)21-12-14-30-15-13-21/h1-11,16,21,30H,12-15,17H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari Curated by ChEMBL					Assay Description Inhibition of human factor 10a by amydolitic assay				J Med Chem 52: 1018-28 (2009) Article DOI: 10.1021/jm801141f BindingDB Entry DOI: 10.7270/Q2BP02T6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50174201 (ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...) Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	75	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	75	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
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	75	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				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50331888 (5-Chloro-2-oxo-3-(thiophene-2-carbonyl)-2,3-dihydr...) Show SMILES NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc12 Show InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	81	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100716 (5-(1-Methyl-pyrrolidin-2-yl)-pyridin-2-ylamine | C...) Show SMILES CN1CCCC1c1ccc(N)nc1 Show InChI InChI=1S/C10H15N3/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	86	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
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50097346 ((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...) Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	87	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50027952 (5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acet...) Show SMILES Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	96	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50100714 (5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ol | C...) Show SMILES O=c1ccc(c[nH]1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H14N2O/c14-11-4-1-7(6-12-11)9-5-8-2-3-10(9)13-8/h1,4,6,8-10,13H,2-3,5H2,(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]pibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	130	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				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50292898 (CHEMBL453387 | N-(3-((3',5'-difluorobiphenyl-4-yl)...) Show SMILES Fc1cc(F)cc(c1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1 Show InChI InChI=1S/C25H24F2N2O2/c26-21-12-20(13-22(27)14-21)18-6-4-17(5-7-18)16-31-24-3-1-2-23(15-24)29-25(30)19-8-10-28-11-9-19/h1-7,12-15,19,28H,8-11,16H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari Curated by ChEMBL					Assay Description Inhibition of human factor 10a by amydolitic assay				J Med Chem 52: 1018-28 (2009) Article DOI: 10.1021/jm801141f BindingDB Entry DOI: 10.7270/Q2BP02T6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM85245 (CAS_36322-90-4 | NSC_4856 | Piroxicam) Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12| Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	170	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50022772 (CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	170	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
Coagulation factor X (Homo sapiens (Human))	BDBM50292892 (CHEMBL490298 | N-{3-[(3'-fluoro-1,1'-biphenyl-4-yl...) Show SMILES Fc1cccc(c1)-c1ccc(COc2cccc(NC(=O)C3CCNCC3)c2)cc1 Show InChI InChI=1S/C25H25FN2O2/c26-22-4-1-3-21(15-22)19-9-7-18(8-10-19)17-30-24-6-2-5-23(16-24)28-25(29)20-11-13-27-14-12-20/h1-10,15-16,20,27H,11-14,17H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari Curated by ChEMBL					Assay Description Inhibition of human factor 10a by amydolitic assay				J Med Chem 52: 1018-28 (2009) Article DOI: 10.1021/jm801141f BindingDB Entry DOI: 10.7270/Q2BP02T6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	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	200	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				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	220	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50056998 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O |t:12| Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)	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 Similars	DrugBank PDB Article PubMed	230	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				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50022271 (2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...) Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	240	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
Prostaglandin G/H synthase 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	310	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				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM85512 (CAS_76145-76-1 | NSC_53454 | Tomoxiprol) Show SMILES COc1ccc(cc1)-c1nc2c([nH]1)c(cc1ccccc21)C(C)C Show InChI InChI=1S/C21H20N2O/c1-13(2)18-12-15-6-4-5-7-17(15)19-20(18)23-21(22-19)14-8-10-16(24-3)11-9-14/h4-13H,1-3H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	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
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	340	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				3D Structure (crystal)

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