Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'simon' and Initial = 'ja'   

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
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM50239965 (Bromhexine | CHEBI:77032) Show SMILES CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 Show InChI InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM420291 (0591-5329 | 4-(Methoxycarbonyl)phenyl thiophene-2-...) Show SMILES COC(=O)c1ccc(OC(=O)c2cccs2)cc1 Show InChI InChI=1S/C13H10O4S/c1-16-12(14)9-4-6-10(7-5-9)17-13(15)11-3-2-8-18-11/h2-8H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM50022172 ((7-Hydroxy-2-oxo-2H-chromen-4-yl)-acetic acid meth...) Show SMILES COC(=O)Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C12H10O5/c1-16-11(14)4-7-5-12(15)17-10-6-8(13)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59162 (8047577) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O Show InChI InChI=1S/C21H10Cl2F3NO2S2/c22-12-4-6-15(16(23)9-12)17-7-5-14(29-17)10-18-19(28)27(20(30)31-18)13-3-1-2-11(8-13)21(24,25)26/h1-10H/b18-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.9	n/a
University of Washington					Assay Description Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59159 (6190013) Show SMILES [#8-]-[#7+](=O)-c1cc(Cl)c(cc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Washington					Assay Description Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59162 (8047577) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O Show InChI InChI=1S/C21H10Cl2F3NO2S2/c22-12-4-6-15(16(23)9-12)17-7-5-14(29-17)10-18-19(28)27(20(30)31-18)13-3-1-2-11(8-13)21(24,25)26/h1-10H/b18-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59162 (8047577) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O Show InChI InChI=1S/C21H10Cl2F3NO2S2/c22-12-4-6-15(16(23)9-12)17-7-5-14(29-17)10-18-19(28)27(20(30)31-18)13-3-1-2-11(8-13)21(24,25)26/h1-10H/b18-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Washington					Assay Description Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM420294 (8008-1235 | N-[4-(4-chlorophenyl)-3-ethyl-1,3-thia...) Show SMILES CCn1c(csc1=Nc1ccccc1)-c1ccc(Cl)cc1 |w:7.8| Show InChI InChI=1S/C17H15ClN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM420292 (4401-0077 | Antidepressant agent 1) Show SMILES CCN1CCn2c3C1CCCc3c1cc(Br)ccc21 Show InChI InChI=1S/C16H19BrN2/c1-2-18-8-9-19-14-7-6-11(17)10-13(14)12-4-3-5-15(18)16(12)19/h6-7,10,15H,2-5,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262769 (CHEMBL4062161) Show SMILES Cl.CCN1CCc2c(C1)sc(NC(=O)Nc1ccc(Cl)cc1)c2C(N)=O Show InChI InChI=1S/C17H19ClN4O2S/c1-2-22-8-7-12-13(9-22)25-16(14(12)15(19)23)21-17(24)20-11-5-3-10(18)4-6-11/h3-6H,2,7-9H2,1H3,(H2,19,23)(H2,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Merrill Bloedel Hearing Research Center, University of Washington , Seattle, Washington 98195, United States. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as decrease in peak tail current amplitude by path clamp method				J Med Chem 61: 84-97 (2018) Article DOI: 10.1021/acs.jmedchem.7b00932 BindingDB Entry DOI: 10.7270/Q2697615
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262740 (CHEMBL4074914) Show SMILES [I-].CC[N+]1(C)Cc2sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c2C1 Show InChI InChI=1S/C17H19ClN4O2S.HI/c1-3-22(2)8-12-13(9-22)25-16(14(12)15(19)23)21-17(24)20-11-6-4-10(18)5-7-11;/h4-7H,3,8-9H2,1-2H3,(H3-,19,20,21,23,24);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Merrill Bloedel Hearing Research Center, University of Washington , Seattle, Washington 98195, United States. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as decrease in peak tail current amplitude by path clamp method				J Med Chem 61: 84-97 (2018) Article DOI: 10.1021/acs.jmedchem.7b00932 BindingDB Entry DOI: 10.7270/Q2697615
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262771 (CHEMBL4074997) Show SMILES [I-].CC[N+]1(C)CCc2c(C1)sc(NC(=O)Nc1ccc(Cl)cc1)c2C(N)=O Show InChI InChI=1S/C18H21ClN4O2S.HI/c1-3-23(2)9-8-13-14(10-23)26-17(15(13)16(20)24)22-18(25)21-12-6-4-11(19)5-7-12;/h4-7H,3,8-10H2,1-2H3,(H3-,20,21,22,24,25);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Merrill Bloedel Hearing Research Center, University of Washington , Seattle, Washington 98195, United States. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as decrease in peak tail current amplitude by path clamp method				J Med Chem 61: 84-97 (2018) Article DOI: 10.1021/acs.jmedchem.7b00932 BindingDB Entry DOI: 10.7270/Q2697615
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262772 (CHEMBL4085169) Show SMILES [Br-].NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2C[N+]3(CCCC3)CCc12 Show InChI InChI=1S/C19H21ClN4O2S/c20-12-3-5-13(6-4-12)22-19(26)23-18-16(17(21)25)14-7-10-24(8-1-2-9-24)11-15(14)27-18/h3-6H,1-2,7-11H2,(H3-,21,22,23,25,26)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Merrill Bloedel Hearing Research Center, University of Washington , Seattle, Washington 98195, United States. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as decrease in peak tail current amplitude by path clamp method				J Med Chem 61: 84-97 (2018) Article DOI: 10.1021/acs.jmedchem.7b00932 BindingDB Entry DOI: 10.7270/Q2697615
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59164 (8048422) Show SMILES [#8-]-[#6](=O)-c1cc(ccc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C16H9ClN2O5S/c17-11-3-1-7(5-9(11)15(22)23)12-4-2-8(24-12)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Washington					Assay Description Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59164 (8048422) Show SMILES [#8-]-[#6](=O)-c1cc(ccc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C16H9ClN2O5S/c17-11-3-1-7(5-9(11)15(22)23)12-4-2-8(24-12)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59154 (5739991) Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O Show InChI InChI=1S/C14H7BrN2O4S2/c15-12-6-5-10(21-12)7-11-13(18)16(14(22)23-11)8-1-3-9(4-2-8)17(19)20/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59163 (6789536) Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O Show InChI InChI=1S/C20H11ClN2O4S3/c21-12-1-8-16(9-2-12)29-18-10-7-15(27-18)11-17-19(24)22(20(28)30-17)13-3-5-14(6-4-13)23(25)26/h1-11H/b17-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.81E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Washington					Assay Description Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59161 (5738875) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.9	n/a
University of Washington					Assay Description Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262768 (CHEMBL4096279) Show SMILES Cl.[H][C@]12CC[C@]([H])(N1C)c1c(C2)sc(NC(=O)Nc2ccc(Cl)cc2)c1C(N)=O |r,THB:8:7:9.10.11:4.3| Show InChI InChI=1S/C18H19ClN4O2S.ClH/c1-23-11-6-7-12(23)14-13(8-11)26-17(15(14)16(20)24)22-18(25)21-10-4-2-9(19)3-5-10;/h2-5,11-12H,6-8H2,1H3,(H2,20,24)(H2,21,22,25);1H/t11-,12+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Merrill Bloedel Hearing Research Center, University of Washington , Seattle, Washington 98195, United States. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as decrease in peak tail current amplitude by path clamp method				J Med Chem 61: 84-97 (2018) Article DOI: 10.1021/acs.jmedchem.7b00932 BindingDB Entry DOI: 10.7270/Q2697615
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59163 (6789536) Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O Show InChI InChI=1S/C20H11ClN2O4S3/c21-12-1-8-16(9-2-12)29-18-10-7-15(27-18)11-17-19(24)22(20(28)30-17)13-3-5-14(6-4-13)23(25)26/h1-11H/b17-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	7.9	n/a
University of Washington					Assay Description Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59161 (5738875) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.65E+3	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59163 (6789536) Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O Show InChI InChI=1S/C20H11ClN2O4S3/c21-12-1-8-16(9-2-12)29-18-10-7-15(27-18)11-17-19(24)22(20(28)30-17)13-3-5-14(6-4-13)23(25)26/h1-11H/b17-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.85E+3	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50004764 (CHEMBL3233733) Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C27H22N2O2/c1-17-7-9-19(10-8-17)26-24(27(31)29-28-26)16-23-22-13-11-20(18-5-3-2-4-6-18)15-21(22)12-14-25(23)30/h2-15,30H,16H2,1H3,(H2,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT3 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59165 (8056354) Show SMILES [#8-]-[#6](=O)-c1cccc(-c2ccc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl Show InChI InChI=1S/C16H9ClN2O5S/c17-12-8(2-1-3-9(12)15(22)23)11-5-4-7(24-11)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.29E+3	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59165 (8056354) Show SMILES [#8-]-[#6](=O)-c1cccc(-c2ccc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl Show InChI InChI=1S/C16H9ClN2O5S/c17-12-8(2-1-3-9(12)15(22)23)11-5-4-7(24-11)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.51E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Washington					Assay Description Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59153 (5737176) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O Show InChI InChI=1S/C15H7BrF3NO2S2/c16-12-5-4-10(22-12)7-11-13(21)20(14(23)24-11)9-3-1-2-8(6-9)15(17,18)19/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59164 (8048422) Show SMILES [#8-]-[#6](=O)-c1cc(ccc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C16H9ClN2O5S/c17-11-3-1-7(5-9(11)15(22)23)12-4-2-8(24-12)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	7.9	n/a
University of Washington					Assay Description Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59165 (8056354) Show SMILES [#8-]-[#6](=O)-c1cccc(-c2ccc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl Show InChI InChI=1S/C16H9ClN2O5S/c17-12-8(2-1-3-9(12)15(22)23)11-5-4-7(24-11)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	7.9	n/a
University of Washington					Assay Description Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59161 (5738875) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.83E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Washington					Assay Description Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59159 (6190013) Show SMILES [#8-]-[#7+](=O)-c1cc(Cl)c(cc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	7.9	n/a
University of Washington					Assay Description Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59159 (6190013) Show SMILES [#8-]-[#7+](=O)-c1cc(Cl)c(cc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.48E+3	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59153 (5737176) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O Show InChI InChI=1S/C15H7BrF3NO2S2/c16-12-5-4-10(22-12)7-11-13(21)20(14(23)24-11)9-3-1-2-8(6-9)15(17,18)19/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	7.9	n/a
University of Washington					Assay Description Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146058 (Benzo[de]isochromene-1,3-dione | CHEMBL316059) Show SMILES O=C1OC(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59153 (5737176) Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O Show InChI InChI=1S/C15H7BrF3NO2S2/c16-12-5-4-10(22-12)7-11-13(21)20(14(23)24-11)9-3-1-2-8(6-9)15(17,18)19/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.25E+3	n/a	n/a	n/a	n/a	8.0	n/a
University of Washington					Assay Description Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59154 (5739991) Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O Show InChI InChI=1S/C14H7BrN2O4S2/c15-12-6-5-10(21-12)7-11-13(18)16(14(22)23-11)8-1-3-9(4-2-8)17(19)20/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	8.0	n/a
University of Washington					Assay Description Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59154 (5739991) Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O Show InChI InChI=1S/C14H7BrN2O4S2/c15-12-6-5-10(21-12)7-11-13(18)16(14(22)23-11)8-1-3-9(4-2-8)17(19)20/h1-7H/b11-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	7.9	n/a
University of Washington					Assay Description Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59157 (6126765) Show SMILES COc1cc(\C=C2\SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc(OC)c1OC Show InChI InChI=1S/C20H19N3O5S2/c1-26-13-8-12(9-14(27-2)18(13)28-3)10-15-19(25)23(20(29)30-15)11-17(24)22-16-6-4-5-7-21-16/h4-10H,11H2,1-3H3,(H,21,22,24)/b15-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146048 (2,3-Dihydro-1H-naphtho[2,1-b]oxepin-4-one | CHEMBL...) Show SMILES O=C1CCCc2c(O1)ccc1ccccc21 Show InChI InChI=1S/C14H12O2/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)16-14/h1-2,4-5,8-9H,3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59160 (6209549) Show SMILES COc1cc(C=Nn2c(O)csc2=S)ccc1OCCOc1ccc(cc1)C(C)(C)C |w:6.6| Show InChI InChI=1S/C23H26N2O4S2/c1-23(2,3)17-6-8-18(9-7-17)28-11-12-29-19-10-5-16(13-20(19)27-4)14-24-25-21(26)15-31-22(25)30/h5-10,13-15,26H,11-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262767 (CHEMBL4101606) Show SMILES [I-].NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2C[N+]3(CCOCC3)CCc12 Show InChI InChI=1S/C19H21ClN4O3S/c20-12-1-3-13(4-2-12)22-19(26)23-18-16(17(21)25)14-5-6-24(11-15(14)28-18)7-9-27-10-8-24/h1-4H,5-11H2,(H3-,21,22,23,25,26)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Merrill Bloedel Hearing Research Center, University of Washington , Seattle, Washington 98195, United States. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as decrease in peak tail current amplitude by path clamp method				J Med Chem 61: 84-97 (2018) Article DOI: 10.1021/acs.jmedchem.7b00932 BindingDB Entry DOI: 10.7270/Q2697615
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50004887 (CHEMBL3233749) Show SMILES Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12 Show InChI InChI=1S/C21H16BrNO3/c1-12-2-4-13(5-3-12)20-18(21(25)26-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)24/h2-10,23-24H,11H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262770 (CHEMBL4101684) Show SMILES NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2CN(CCCNC(=O)CCc3c[nH]c4ccccc34)CCc12 Show InChI InChI=1S/C29H31ClN6O3S/c30-19-7-9-20(10-8-19)34-29(39)35-28-26(27(31)38)22-12-15-36(17-24(22)40-28)14-3-13-32-25(37)11-6-18-16-33-23-5-2-1-4-21(18)23/h1-2,4-5,7-10,16,33H,3,6,11-15,17H2,(H2,31,38)(H,32,37)(H2,34,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Merrill Bloedel Hearing Research Center, University of Washington , Seattle, Washington 98195, United States. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as decrease in peak tail current amplitude by path clamp method				J Med Chem 61: 84-97 (2018) Article DOI: 10.1021/acs.jmedchem.7b00932 BindingDB Entry DOI: 10.7270/Q2697615
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50004795 (CHEMBL3233748) Show SMILES CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12 Show InChI InChI=1S/C22H20ClN3O2/c1-12(2)13-3-5-14(6-4-13)21-17(22(28)26-25-21)11-16-15-7-10-20(23)24-18(15)8-9-19(16)27/h3-10,12,27H,11H2,1-2H3,(H2,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59155 (5924029) Show SMILES Fc1ccc(C=NNC(=N)NN=Cc2ccc(F)cc2)cc1 |w:11.10,6.6| Show InChI InChI=1S/C15H13F2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146067 (1,2-Dihydro-benzo[f]thiochromen-3-one | CHEMBL3143...) Show SMILES O=C1CCc2c(S1)ccc1ccccc21 Show InChI InChI=1S/C13H10OS/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50004777 (CHEMBL3233742) Show SMILES COc1cc2ccccc2c(Cc2c([nH][nH]c2=O)-c2ccc(C)cc2)c1O Show InChI InChI=1S/C22H20N2O3/c1-13-7-9-14(10-8-13)20-18(22(26)24-23-20)12-17-16-6-4-3-5-15(16)11-19(27-2)21(17)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
Coagulation factor VIII (Homo sapiens (Human))	BDBM59156 (6072484 | cid_726942) Show SMILES CCOc1ccc(cc1)-c1cc(C)n2nc(cc2n1)C(N)=O Show InChI InChI=1S/C16H16N4O2/c1-3-22-12-6-4-11(5-7-12)13-8-10(2)20-15(18-13)9-14(19-20)16(17)21/h4-9H,3H2,1-2H3,(H2,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	37
University of Washington					Assay Description Inhibition of factor VIII C2 domain.				Chem Biol 11: 1413-22 (2004) Article DOI: 10.1016/j.chembiol.2004.08.006 BindingDB Entry DOI: 10.7270/Q29W0CX1
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146063 (2-Isobutyl-1,2-dihydro-benzo[f]chromen-3-one | CHE...) Show SMILES CC(C)CC1Cc2c(OC1=O)ccc1ccccc21 Show InChI InChI=1S/C17H18O2/c1-11(2)9-13-10-15-14-6-4-3-5-12(14)7-8-16(15)19-17(13)18/h3-8,11,13H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146044 (2-Allyl-1,2-dihydro-benzo[f]chromen-3-one | CHEMBL...) Show SMILES C=CCC1Cc2c(OC1=O)ccc1ccccc21 Show InChI InChI=1S/C16H14O2/c1-2-5-12-10-14-13-7-4-3-6-11(13)8-9-15(14)18-16(12)17/h2-4,6-9,12H,1,5,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146052 (5-Benzyloxy-1,2-dihydro-benzo[f]chromen-3-one | CH...) Show SMILES O=C1CCc2c(O1)c(OCc1ccccc1)cc1ccccc21 Show InChI InChI=1S/C20H16O3/c21-19-11-10-17-16-9-5-4-8-15(16)12-18(20(17)23-19)22-13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair

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