Compile Data Set for Download or QSAR

Found 231 hits with Last Name = 'kobayashi' and Initial = 'm'   

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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50425950 (CHEMBL2311561 | Isoniazid-NAD) Show SMILES NC(=O)C1=CN(C=C[C@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3| Show InChI InChI=1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis InhA				Eur J Med Chem 60: 333-9 (2013) Article DOI: 10.1016/j.ejmech.2012.12.012 BindingDB Entry DOI: 10.7270/Q2DZ09MS
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM85786 (KUR-1246) Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1 Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	25.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 666-71 (2001) BindingDB Entry DOI: 10.7270/Q2D798Z1
					More data for this Ligand-Target Pair
Dioxygenase (Pseudomonas paucimobilis)	BDBM50111620 (4-((Z)-1-Fluoro-2-phenyl-vinyl)-phenol | CHEMBL147...) Show SMILES Oc1ccc(cc1)C(\F)=C\c1ccccc1 Show InChI InChI=1S/C14H11FO/c15-14(10-11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-10,16H/b14-10-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay Description Tested for the inhibition of Lignostilbene-alpha, beta-dioxygenase (LSD)				Bioorg Med Chem Lett 12: 1139-42 (2002) BindingDB Entry DOI: 10.7270/Q2KS6QV0
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50131916 (Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...) Show SMILES Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/p-2/t7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase				Eur J Med Chem 60: 333-9 (2013) Article DOI: 10.1016/j.ejmech.2012.12.012 BindingDB Entry DOI: 10.7270/Q2DZ09MS
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM85786 (KUR-1246) Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1 Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 666-71 (2001) BindingDB Entry DOI: 10.7270/Q2D798Z1
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50131914 (Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,...) Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase				Eur J Med Chem 60: 333-9 (2013) Article DOI: 10.1016/j.ejmech.2012.12.012 BindingDB Entry DOI: 10.7270/Q2DZ09MS
					More data for this Ligand-Target Pair				3D Structure (docked)
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472624 (CHEMBL62439) Show SMILES CC(C)(C)c1cc(\C=C2/CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C24H30ClNO3S/c1-23(2,3)20-14-16(15-21(22(20)27)24(4,5)6)13-19-11-12-26(30(19,28)29)18-9-7-17(25)8-10-18/h7-10,13-15,27H,11-12H2,1-6H3/b19-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472616 (CHEMBL65325) Show SMILES CN1CC\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C19H29NO3S/c1-18(2,3)15-11-13(12-16(17(15)21)19(4,5)6)10-14-8-9-20(7)24(14,22)23/h10-12,21H,8-9H2,1-7H3/b14-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472627 (CHEMBL304489) Show SMILES CC(C)(C)c1cc(\C=C2\CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C24H30ClNO3S/c1-23(2,3)20-14-16(15-21(22(20)27)24(4,5)6)13-19-11-12-26(30(19,28)29)18-9-7-17(25)8-10-18/h7-10,13-15,27H,11-12H2,1-6H3/b19-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472632 (CHEMBL65140) Show SMILES CC(=O)N1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C20H29NO4S/c1-13(22)21-9-8-15(26(21,24)25)10-14-11-16(19(2,3)4)18(23)17(12-14)20(5,6)7/h10-12,23H,8-9H2,1-7H3/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472618 (CHEMBL303092) Show SMILES CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C19H29NO4S/c1-18(2,3)15-11-13(12-16(17(15)21)19(4,5)6)10-14-8-9-20(24-7)25(14,22)23/h10-12,21H,8-9H2,1-7H3/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472623 (CHEMBL294100) Show SMILES CC(C)(C)c1cc(\C=C2\CCNS2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H27NO3S/c1-17(2,3)14-10-12(9-13-7-8-19-23(13,21)22)11-15(16(14)20)18(4,5)6/h9-11,19-20H,7-8H2,1-6H3/b13-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472613 (CHEMBL305076) Show SMILES CCN1CC\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C20H31NO3S/c1-8-21-10-9-15(25(21,23)24)11-14-12-16(19(2,3)4)18(22)17(13-14)20(5,6)7/h11-13,22H,8-10H2,1-7H3/b15-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472612 (CHEMBL60496) Show SMILES CC(C)(C)c1cc(\C=C2/CCN(C3CC3)S2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C21H31NO3S/c1-20(2,3)17-12-14(13-18(19(17)23)21(4,5)6)11-16-9-10-22(15-7-8-15)26(16,24)25/h11-13,15,23H,7-10H2,1-6H3/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472605 (CHEMBL64507) Show SMILES CON1CC\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C19H29NO4S/c1-18(2,3)15-11-13(12-16(17(15)21)19(4,5)6)10-14-8-9-20(24-7)25(14,22)23/h10-12,21H,8-9H2,1-7H3/b14-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50483553 (CHEBI:76007 | Dolutegravir Sodium | GSK1349572 | G...) Show SMILES [Na;v0+].[H][C@]12[#6]-n3cc(-[#6](=O)-[#7]-[#6]-c4ccc(F)cc4F)c(=O)c(-[#8-])c3-[#6](=O)-[#7]1-[#6@H](-[#6])-[#6]-[#6]-[#8]2 |r| Show InChI InChI=1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...				Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/AAC.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r| Show InChI InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...				J Med Chem 56: 5901-16 (2013) Article DOI: 10.1021/jm400645w BindingDB Entry DOI: 10.7270/Q21G0Q64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1/2 (RAT)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50492496 (Cabotegravir | GSK-1265744A | GSK1265744 | GSK1265...) Show SMILES [H][C@@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r| Show InChI InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...				J Med Chem 56: 5901-16 (2013) Article DOI: 10.1021/jm400645w BindingDB Entry DOI: 10.7270/Q21G0Q64
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579099 (& 16-2 | US11479551, Example 16-1) Show SMILES Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.63,-7.18,;5.24,-8.66,;6.32,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.37,-7.32,;8.37,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579099 (& 16-2 | US11479551, Example 16-1) Show SMILES Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.63,-7.18,;5.24,-8.66,;6.32,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.37,-7.32,;8.37,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay				Antimicrob Agents Chemother 52: 901-8 (2008) Article DOI: 10.1128/aac.01218-07 BindingDB Entry DOI: 10.7270/Q2JQ13VN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480673 (Isentress | Isentress hd | MK-0518 | MK-0518 POTAS...) Show SMILES [K;v0+].[#6]-c1nnc(o1)-[#6](=O)-[#7]C([#6])([#6])c1nc(-[#6](=O)-[#7]-[#6]-c2ccc(F)cc2)c(-[#8-])c(=O)n1-[#6] Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)/p-1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...				Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/AAC.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50585596 (CHEMBL5076766) Show SMILES Cn1ncc(c1-c1c(F)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.52,-17.1,;21.06,-16.94,;21.83,-15.6,;23.34,-15.93,;23.49,-17.46,;22.09,-18.08,;21.77,-19.59,;22.92,-20.63,;24.02,-20.27,;22.59,-22.14,;21.13,-22.61,;19.98,-21.58,;18.52,-22.05,;17.38,-21.02,;15.86,-20.7,;16.9,-19.56,;20.3,-20.07,;19.16,-19.04,;18.01,-18.01,;24.83,-18.23,;24.83,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.83,-17.46,;28.83,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.83,-20.54,;28.83,-22.08,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492497 (CHEMBL2403118) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C(=O)N1CC[C@@H](C)O2 |r| Show InChI InChI=1S/C20H20FN3O5/c1-11-6-7-24-15(29-11)10-23-9-14(17(25)18(26)16(23)20(24)28)19(27)22-8-12-2-4-13(21)5-3-12/h2-5,9,11,15,26H,6-8,10H2,1H3,(H,22,27)/t11-,15+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...				J Med Chem 56: 5901-16 (2013) Article DOI: 10.1021/jm400645w BindingDB Entry DOI: 10.7270/Q21G0Q64
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579030 (2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin...) Show SMILES Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.27,1.79,;-2.94,2.56,;-2.46,4.02,;-.92,4.02,;-.45,2.56,;-1.69,1.65,;-2.09,.16,;-1.19,-1.08,;-2.09,-2.33,;-1.77,-3.84,;-2.91,-4.87,;-4.38,-4.39,;-4.7,-2.88,;-3.56,-1.85,;-3.56,-.31,;-4.8,.59,;-6.05,1.5,;.89,1.79,;.89,.25,;2.22,-.52,;3.56,.25,;3.56,1.79,;2.22,2.56,;4.89,2.56,;4.89,4.1,;3.56,4.87,;6.22,1.79,;6.22,.25,;4.89,-.52,;4.89,-2.06,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362167 (CHEMBL1941129) Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362160 (CHEMBL1941121) Show SMILES COc1ccc(cc1)C(c1ccc(OC)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1 Show InChI InChI=1S/C31H31NO6/c1-36-26-13-8-23(9-14-26)31(24-10-15-27(37-2)16-11-24)25-12-17-29(33)32(20-25)18-4-6-22-5-3-7-28(19-22)38-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579105 (US11479551, Example 16-7 | US11479551, Example 16-...) Show SMILES Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579105 (US11479551, Example 16-7 | US11479551, Example 16-...) Show SMILES Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...				Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/AAC.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay				Antimicrob Agents Chemother 52: 901-8 (2008) Article DOI: 10.1128/aac.01218-07 BindingDB Entry DOI: 10.7270/Q2JQ13VN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472615 (CHEMBL64813) Show SMILES CC(C)(C)c1cc(\C=C2/CCCNS2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C19H29NO3S/c1-18(2,3)15-11-13(12-16(17(15)21)19(4,5)6)10-14-8-7-9-20-24(14,22)23/h10-12,20-21H,7-9H2,1-6H3/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362159 (CHEMBL1941120) Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1 Show InChI InChI=1S/C31H31NO4/c1-22-8-12-25(13-9-22)31(26-14-10-23(2)11-15-26)27-16-17-29(33)32(20-27)18-4-6-24-5-3-7-28(19-24)36-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045107 (CHEMBL1256978 | GSK364735) Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O Show InChI InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay				Antimicrob Agents Chemother 52: 901-8 (2008) Article DOI: 10.1128/aac.01218-07 BindingDB Entry DOI: 10.7270/Q2JQ13VN
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579105 (US11479551, Example 16-7 | US11479551, Example 16-...) Show SMILES Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM578996 (2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin...) Show SMILES Cn1ncc(c1-c1cc(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.91,1.9,;-2.57,2.67,;-2.1,4.14,;-.56,4.14,;-.08,2.67,;-1.33,1.77,;-1.73,.28,;-.64,-.81,;-1.04,-2.3,;.05,-3.39,;-2.52,-2.7,;-3.61,-1.61,;-5.1,-2.01,;-5.5,-3.49,;-6.59,-4.58,;-5.1,-4.98,;-3.3,-.03,;-4.39,1.06,;-5.48,2.15,;1.25,1.9,;1.25,.36,;2.59,-.41,;3.92,.36,;3.92,1.9,;2.59,2.67,;5.25,2.67,;5.25,4.21,;3.92,4.98,;6.59,1.9,;6.59,.36,;5.25,-.41,;5.25,-1.95,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50585595 (CHEMBL5076613) Show SMILES Cc1cc(OC2CC2)c(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(25.55,-19.26,;24.41,-18.23,;22.94,-18.7,;21.8,-17.67,;20.33,-18.15,;19.19,-17.12,;17.68,-16.8,;18.71,-15.65,;22.12,-16.17,;20.97,-15.14,;19.84,-14.11,;23.59,-15.69,;24.72,-16.72,;23.9,-14.19,;25.31,-13.56,;25.15,-12.03,;23.64,-11.71,;22.87,-13.04,;21.34,-13.2,;26.64,-14.33,;26.64,-15.87,;27.97,-16.64,;29.31,-15.87,;29.31,-14.33,;27.97,-13.56,;30.64,-13.56,;30.64,-12.03,;31.97,-11.25,;31.97,-14.33,;31.97,-15.87,;30.64,-16.64,;30.64,-18.18,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472610 (CHEMBL60725) Show SMILES CN1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C19H29NO3S/c1-18(2,3)15-11-13(12-16(17(15)21)19(4,5)6)10-14-8-9-20(7)24(14,22)23/h10-12,21H,8-9H2,1-7H3/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362158 (CHEMBL1941119) Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C29H25Cl2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472622 (CHEMBL291543) Show SMILES CCN1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)S1(=O)=O Show InChI InChI=1S/C20H31NO3S/c1-8-21-10-9-15(25(21,23)24)11-14-12-16(19(2,3)4)18(22)17(13-14)20(5,6)7/h11-13,22H,8-10H2,1-7H3/b15-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362166 (CHEMBL1941128) Show SMILES OC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C33H33NO4/c35-32(36)25-38-30-20-10-12-26(24-30)13-11-22-34(33(37)29-18-8-3-9-19-29)23-21-31(27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-10,12,14-20,24,31H,11,13,21-23,25H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50021581 (CHEMBL414850 | L-870810) Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay				Antimicrob Agents Chemother 52: 901-8 (2008) Article DOI: 10.1128/aac.01218-07 BindingDB Entry DOI: 10.7270/Q2JQ13VN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50472631 (CHEMBL60738) Show SMILES CC(C)(C)c1cc(\C=C2/CCN(O)S2(=O)=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H27NO4S/c1-17(2,3)14-10-12(11-15(16(14)20)18(4,5)6)9-13-7-8-19(21)24(13,22)23/h9-11,20-21H,7-8H2,1-6H3/b13-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.				J Med Chem 43: 2040-8 (2000) Article DOI: 10.1021/jm9906015 BindingDB Entry DOI: 10.7270/Q2H134R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485874 (CHEMBL2171671) Show SMILES OC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O Show InChI InChI=1S/C14H11FN2O5/c15-8-3-1-7(2-4-8)5-17-13(20)9-6-16-10(14(21)22)12(19)11(9)18/h1-4,6,19H,5H2,(H,16,18)(H,17,20)(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...				J Med Chem 55: 8735-44 (2012) Article DOI: 10.1021/jm3010459 BindingDB Entry DOI: 10.7270/Q27M0BTW
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay				Antimicrob Agents Chemother 52: 901-8 (2008) Article DOI: 10.1128/aac.01218-07 BindingDB Entry DOI: 10.7270/Q2JQ13VN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362157 (CHEMBL1941118) Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C29H25F2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579047 (2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin...) Show SMILES Cn1ncc(c1-c1ccc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50362164 (CHEMBL1941126) Show SMILES OC(=O)CCCOc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C31H31NO4/c33-29-19-18-27(31(25-12-3-1-4-13-25)26-14-5-2-6-15-26)23-32(29)20-8-11-24-10-7-16-28(22-24)36-21-9-17-30(34)35/h1-7,10,12-16,18-19,22-23,31H,8-9,11,17,20-21H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 22: 1194-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.079 BindingDB Entry DOI: 10.7270/Q2765FSF
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50585597 (CHEMBL5083379) Show SMILES Cn1ncc(c1-c1c(Cl)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.53,-17.11,;21.06,-16.95,;21.83,-15.61,;23.34,-15.94,;23.5,-17.46,;22.09,-18.09,;21.77,-19.6,;22.92,-20.64,;24.02,-20.27,;22.59,-22.14,;21.13,-22.62,;19.98,-21.58,;18.52,-22.06,;17.38,-21.03,;15.87,-20.71,;16.9,-19.57,;20.31,-20.08,;19.16,-19.05,;18.02,-18.02,;24.84,-18.23,;24.84,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.84,-17.46,;28.84,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.84,-20.54,;28.84,-22.09,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair

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