Compile Data Set for Download or QSAR

Found 5203 hits with Last Name = 'lang' and Initial = 'd'   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343977 ((2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-4-oxo-N-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1Cc2ccccc2C1)C(=O)NCc1ccc(Cn2c(nc3ccccc23)C(F)(F)F)s1 |r| Show InChI InChI=1S/C26H23F3N4O4S/c27-26(28,29)25-31-19-7-3-4-8-20(19)33(25)14-18-10-9-17(38-18)11-30-23(36)21(34)22(35)24(37)32-12-15-5-1-2-6-16(15)13-32/h1-10,21-22,34-35H,11-14H2,(H,30,36)/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125050 (US8772511, 11 | US9714242, 11) Show SMILES Fc1cccc(F)c1NC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;6.09,-2,;4.55,-2,;6.86,-.67,;6.09,.67,;4.55,.67,;3.78,-.67,;3.78,2,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;1.47,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)| Show InChI InChI=1S/C23H22F2N4O2S/c24-16-2-1-3-17(25)21(16)28-23(31)26-15-5-4-14-10-20(32-19(14)11-15)22(30)27-18-12-29-8-6-13(18)7-9-29/h1-5,10-11,13,18H,6-9,12H2,(H,27,30)(H2,26,28,31)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol, 1999, 38, 679-690.Rat brain t...				US Patent US9714242 (2017) BindingDB Entry DOI: 10.7270/Q2M61N83
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125050 (US8772511, 11 | US9714242, 11) Show SMILES Fc1cccc(F)c1NC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;6.09,-2,;4.55,-2,;6.86,-.67,;6.09,.67,;4.55,.67,;3.78,-.67,;3.78,2,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;1.47,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)| Show InChI InChI=1S/C23H22F2N4O2S/c24-16-2-1-3-17(25)21(16)28-23(31)26-15-5-4-14-10-20(32-19(14)11-15)22(30)27-18-12-29-8-6-13(18)7-9-29/h1-5,10-11,13,18H,6-9,12H2,(H,27,30)(H2,26,28,31)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-49.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343976 ((2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-N-((5-((...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1 |r| Show InChI InChI=1S/C26H26N4O4S/c1-16-28-21-8-4-5-9-22(21)30(16)15-20-11-10-19(35-20)12-27-25(33)23(31)24(32)26(34)29-13-17-6-2-3-7-18(17)14-29/h2-11,23-24,31-32H,12-15H2,1H3,(H,27,33)/t23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50342963 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H27ClN4O4/c1-16(17-8-10-20(11-9-17)30-14-4-12-27-30)28-24(33)22(31)23(32)25(34)29-13-3-7-21(29)18-5-2-6-19(26)15-18/h2,4-6,8-12,14-16,21-23,31-32H,3,7,13H2,1H3,(H,28,33)/t16-,21-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125047 (US8772511, 4 | US9714242, 22) Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,;7.63,,;8.4,-1.33,)| Show InChI InChI=1S/C24H26N4O3S/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol, 1999, 38, 679-690.Rat brain t...				US Patent US9714242 (2017) BindingDB Entry DOI: 10.7270/Q2M61N83
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125053 (US8772511, 22) Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(oc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.89,-.53,;-9.38,-.93,;7.63,,;8.4,-1.33,)| Show InChI InChI=1S/C24H26N4O4/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<1	<-47.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343952 ((2R,3R)-N-(4-(2-cyanothiophen-3-yl)benzyl)-2,3-dih...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccsc1C#N |r| Show InChI InChI=1S/C26H25N3O4S/c27-15-22-20(12-14-34-22)18-10-8-17(9-11-18)16-28-25(32)23(30)24(31)26(33)29-13-4-7-21(29)19-5-2-1-3-6-19/h1-3,5-6,8-12,14,21,23-24,30-31H,4,7,13,16H2,(H,28,32)/t21-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343975 ((2R,3R)-4-((R)-2-(2-aminothiazol-4-yl)pyrrolidin-1...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2csc(N)n2)s1 |r| Show InChI InChI=1S/C25H28N6O4S2/c1-14-28-17-5-2-3-6-19(17)31(14)12-16-9-8-15(37-16)11-27-23(34)21(32)22(33)24(35)30-10-4-7-20(30)18-13-36-25(26)29-18/h2-3,5-6,8-9,13,20-22,32-33H,4,7,10-12H2,1H3,(H2,26,29)(H,27,34)/t20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343984 ((2R,3R)-N-(((3S)-1-(2-cyanophenyl)-3-methylpiperid...) Show SMILES C[C@@H]1CN(CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccccc1C#N |r| Show InChI InChI=1S/C28H34N4O4/c1-19-18-31(23-11-6-5-10-21(23)16-29)15-13-22(19)17-30-27(35)25(33)26(34)28(36)32-14-7-12-24(32)20-8-3-2-4-9-20/h2-6,8-11,19,22,24-26,33-34H,7,12-15,17-18H2,1H3,(H,30,35)/t19-,22?,24-,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343967 ((2R,3R)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cn2c(nc3ccccc23)C(F)(F)F)s1 |r| Show InChI InChI=1S/C28H26ClF3N4O4S/c29-17-6-3-5-16(13-17)21-9-4-12-35(21)26(40)24(38)23(37)25(39)33-14-18-10-11-19(41-18)15-36-22-8-2-1-7-20(22)34-27(36)28(30,31)32/h1-3,5-8,10-11,13,21,23-24,37-38H,4,9,12,14-15H2,(H,33,39)/t21-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125047 (US8772511, 4 | US9714242, 22) Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,;7.63,,;8.4,-1.33,)| Show InChI InChI=1S/C24H26N4O3S/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol, 1999, 38, 679-690.Rat brain t...				US Patent US9714242 (2017) BindingDB Entry DOI: 10.7270/Q2M61N83
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125047 (US8772511, 4 | US9714242, 22) Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,;7.63,,;8.4,-1.33,)| Show InChI InChI=1S/C24H26N4O3S/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	-46.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343963 ((2R,3R)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-...) Show SMILES COc1ccccc1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 |r| Show InChI InChI=1S/C27H29ClN2O5S/c1-35-23-10-3-2-6-18(23)15-20-11-12-21(36-20)16-29-26(33)24(31)25(32)27(34)30-13-5-9-22(30)17-7-4-8-19(28)14-17/h2-4,6-8,10-12,14,22,24-25,31-32H,5,9,13,15-16H2,1H3,(H,29,33)/t22-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343954 (CHEMBL1777832 | rac-(2R,3R)-N-(4-(1,2,3-thiadiazol...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cc1)-c1csnn1 |r| Show InChI InChI=1S/C23H23ClN4O4S/c24-17-4-1-3-16(11-17)19-5-2-10-28(19)23(32)21(30)20(29)22(31)25-12-14-6-8-15(9-7-14)18-13-33-27-26-18/h1,3-4,6-9,11,13,19-21,29-30H,2,5,10,12H2,(H,25,31)/t19?,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343959 (CHEMBL1779630 | rac-(2R,3R)-N-(4-(1H-pyrazol-1-yl)...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H25ClN4O4/c25-18-5-1-4-17(14-18)20-6-2-12-28(20)24(33)22(31)21(30)23(32)26-15-16-7-9-19(10-8-16)29-13-3-11-27-29/h1,3-5,7-11,13-14,20-22,30-31H,2,6,12,15H2,(H,26,32)/t20?,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343973 (CHEMBL1779606 | rac-(2R,3R)-2,3-dihydroxy-N-((5-((...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccs2)s1 |r| Show InChI InChI=1S/C26H28N4O4S2/c1-16-28-19-6-2-3-7-20(19)30(16)15-18-11-10-17(36-18)14-27-25(33)23(31)24(32)26(34)29-12-4-8-21(29)22-9-5-13-35-22/h2-3,5-7,9-11,13,21,23-24,31-32H,4,8,12,14-15H2,1H3,(H,27,33)/t21?,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343982 (CHEMBL1779615 | rac-(2R,3R)-4-(2-(3-chlorophenyl)p...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCC1CCN(CC1)c1ccccc1C#N |r| Show InChI InChI=1S/C27H31ClN4O4/c28-21-7-3-6-19(15-21)23-9-4-12-32(23)27(36)25(34)24(33)26(35)30-17-18-10-13-31(14-11-18)22-8-2-1-5-20(22)16-29/h1-3,5-8,15,18,23-25,33-34H,4,9-14,17H2,(H,30,35)/t23?,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343966 ((2R,3R)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 |r| Show InChI InChI=1S/C28H29ClN4O4S/c1-17-31-22-8-2-3-9-24(22)33(17)16-21-12-11-20(38-21)15-30-27(36)25(34)26(35)28(37)32-13-5-10-23(32)18-6-4-7-19(29)14-18/h2-4,6-9,11-12,14,23,25-26,34-35H,5,10,13,15-16H2,1H3,(H,30,36)/t23-,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125051 (US8772511, 16 | US9714242, 16) Show SMILES COc1cccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wU:23.24,(10.33,-3.33,;9.56,-2,;8.02,-2,;7.25,-3.33,;5.71,-3.33,;4.94,-2,;5.71,-.67,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;.32,3.33,;-1.22,3.33,;-1.99,2,;-3.5,1.68,;-3.66,.15,;-2.25,-.48,;-1.22,.67,;.32,.67,;-4.99,-.62,;-4.99,-2.16,;-6.33,.15,;-7.66,-.62,;-7.66,-2.16,;-8.99,-2.93,;-10.33,-2.16,;-10.33,-.62,;-8.99,.15,;-8.22,-1.18,;-9.71,-1.58,;7.25,-.67,)| Show InChI InChI=1S/C24H26N4O3S/c1-31-19-4-2-3-17(12-19)25-24(30)26-18-6-5-16-11-22(32-21(16)13-18)23(29)27-20-14-28-9-7-15(20)8-10-28/h2-6,11-13,15,20H,7-10,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol, 1999, 38, 679-690.Rat brain t...				US Patent US9714242 (2017) BindingDB Entry DOI: 10.7270/Q2M61N83
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125052 (US8772511, 21 | US9714242, 21) Show SMILES O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:22.24,(4.55,.67,;3.78,-.67,;4.55,-2,;6.09,-2,;6.86,-.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.12,-1.2,;-8.61,-1.6,)| Show InChI InChI=1S/C23H24N4O2S/c28-22(25-19-14-27-11-9-15(19)10-12-27)20-13-16-5-4-8-18(21(16)30-20)26-23(29)24-17-6-2-1-3-7-17/h1-8,13,15,19H,9-12,14H2,(H,25,28)(H2,24,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.30	-44.4	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343949 ((2R,3R)-N-(4-(3-cyanopyridin-4-yl)benzyl)-2,3-dihy...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccncc1C#N |r| Show InChI InChI=1S/C27H26N4O4/c28-15-21-17-29-13-12-22(21)19-10-8-18(9-11-19)16-30-26(34)24(32)25(33)27(35)31-14-4-7-23(31)20-5-2-1-3-6-20/h1-3,5-6,8-13,17,23-25,32-33H,4,7,14,16H2,(H,30,34)/t23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343980 (CHEMBL1779613 | rac-(2R,3R)-4-(2-(3-chlorophenyl)p...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cn1)-c1ccccc1 |r| Show InChI InChI=1S/C26H26ClN3O4/c27-20-9-4-8-18(14-20)22-10-5-13-30(22)26(34)24(32)23(31)25(33)29-16-21-12-11-19(15-28-21)17-6-2-1-3-7-17/h1-4,6-9,11-12,14-15,22-24,31-32H,5,10,13,16H2,(H,29,33)/t22?,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125049 (US8772511, 6 | US9714242, 6) Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.19,-.67,;2.96,.67,;4.5,.67,;5.27,-.67,;4.5,-2,;5.27,-3.33,;6.81,-3.33,;7.64,-2,;6.81,-.67,;9.18,-2,;10.72,-2,;2.19,2,;.65,2,;-.12,3.33,;-1.66,3.33,;-2.43,2,;-3.93,1.68,;-4.1,.15,;-2.69,-.48,;-1.66,.67,;-.12,.67,;-5.43,-.62,;-5.43,-2.16,;-6.76,.15,;-8.1,-.62,;-8.1,-2.16,;-9.43,-2.93,;-10.76,-2.16,;-10.76,-.62,;-9.43,.15,;-8.66,-1.18,;-10.15,-1.58,)| Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol, 1999, 38, 679-690.Rat brain t...				US Patent US9714242 (2017) BindingDB Entry DOI: 10.7270/Q2M61N83
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125049 (US8772511, 6 | US9714242, 6) Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.19,-.67,;2.96,.67,;4.5,.67,;5.27,-.67,;4.5,-2,;5.27,-3.33,;6.81,-3.33,;7.64,-2,;6.81,-.67,;9.18,-2,;10.72,-2,;2.19,2,;.65,2,;-.12,3.33,;-1.66,3.33,;-2.43,2,;-3.93,1.68,;-4.1,.15,;-2.69,-.48,;-1.66,.67,;-.12,.67,;-5.43,-.62,;-5.43,-2.16,;-6.76,.15,;-8.1,-.62,;-8.1,-2.16,;-9.43,-2.93,;-10.76,-2.16,;-10.76,-.62,;-9.43,.15,;-8.66,-1.18,;-10.15,-1.58,)| Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50309158 ((2R,3R)-N-((4-benzylthiazol-2-yl)methyl)-2,3-dihyd...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1nc(Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C25H27N3O4S/c29-22(23(30)25(32)28-13-7-12-20(28)18-10-5-2-6-11-18)24(31)26-15-21-27-19(16-33-21)14-17-8-3-1-4-9-17/h1-6,8-11,16,20,22-23,29-30H,7,12-15H2,(H,26,31)/t20?,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343972 (CHEMBL1779605 | rac-(2R,3R)-2,3-dihydroxy-N-((5-((...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccn2)s1 |r| Show InChI InChI=1S/C27H29N5O4S/c1-17-30-21-8-2-3-9-23(21)32(17)16-19-12-11-18(37-19)15-29-26(35)24(33)25(34)27(36)31-14-6-10-22(31)20-7-4-5-13-28-20/h2-5,7-9,11-13,22,24-25,33-34H,6,10,14-16H2,1H3,(H,29,35)/t22?,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343953 ((2R,3R)-2,3-dihydroxy-N-(4-(isoxazol-3-yl)benzyl)-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccon1 |r| Show InChI InChI=1S/C24H25N3O5/c28-21(22(29)24(31)27-13-4-7-20(27)18-5-2-1-3-6-18)23(30)25-15-16-8-10-17(11-9-16)19-12-14-32-26-19/h1-3,5-6,8-12,14,20-22,28-29H,4,7,13,15H2,(H,25,30)/t20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343974 (CHEMBL1779607 | rac-(2R,3R)-2,3-dihydroxy-N-((5-((...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2nccs2)s1 |r| Show InChI InChI=1S/C25H27N5O4S2/c1-15-28-18-5-2-3-6-19(18)30(15)14-17-9-8-16(36-17)13-27-23(33)21(31)22(32)25(34)29-11-4-7-20(29)24-26-10-12-35-24/h2-3,5-6,8-10,12,20-22,31-32H,4,7,11,13-14H2,1H3,(H,27,33)/t20?,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343960 ((2R,3R)-N-((5-(2-chlorobenzyl)thiophen-2-yl)methyl...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccccc2Cl)s1 |r| Show InChI InChI=1S/C26H26Cl2N2O4S/c27-18-7-3-6-17(13-18)22-9-4-12-30(22)26(34)24(32)23(31)25(33)29-15-20-11-10-19(35-20)14-16-5-1-2-8-21(16)28/h1-3,5-8,10-11,13,22-24,31-32H,4,9,12,14-15H2,(H,29,33)/t22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50309147 ((2R,3R)-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C20H23ClN2O4S/c21-14-5-1-4-13(12-14)16-7-2-10-23(16)20(27)18(25)17(24)19(26)22-9-8-15-6-3-11-28-15/h1,3-6,11-12,16-18,24-25H,2,7-10H2,(H,22,26)/t16?,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343964 ((2R,3R)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccsc2)s1 |r| Show InChI InChI=1S/C24H25ClN2O4S2/c25-17-4-1-3-16(12-17)20-5-2-9-27(20)24(31)22(29)21(28)23(30)26-13-19-7-6-18(33-19)11-15-8-10-32-14-15/h1,3-4,6-8,10,12,14,20-22,28-29H,2,5,9,11,13H2,(H,26,30)/t20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343970 (CHEMBL1779603 | rac-(2R,3R)-2,3-dihydroxy-N-((5-((...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccnc2)s1 |r| Show InChI InChI=1S/C27H29N5O4S/c1-17-30-21-7-2-3-8-23(21)32(17)16-20-11-10-19(37-20)15-29-26(35)24(33)25(34)27(36)31-13-5-9-22(31)18-6-4-12-28-14-18/h2-4,6-8,10-12,14,22,24-25,33-34H,5,9,13,15-16H2,1H3,(H,29,35)/t22?,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50132563 ((S)-(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxaz...) Show SMILES CCCc1cc2c(noc2c(CCC)c1O[C@H](C(O)=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C22H22F3NO4/c1-3-8-14-12-16-19(30-26-20(16)22(23,24)25)15(9-4-2)17(14)29-18(21(27)28)13-10-6-5-7-11-13/h5-7,10-12,18H,3-4,8-9H2,1-2H3,(H,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 3185-90 (2003) BindingDB Entry DOI: 10.7270/Q2TQ6229
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343983 ((2R,3R)-N-((3-(2-cyanophenyl)-3-azabicyclo[3.1.0]h...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCC1C2CN(CC12)c1ccccc1C#N |r| Show InChI InChI=1S/C27H30N4O4/c28-13-18-9-4-5-10-22(18)30-15-20-19(21(20)16-30)14-29-26(34)24(32)25(33)27(35)31-12-6-11-23(31)17-7-2-1-3-8-17/h1-5,7-10,19-21,23-25,32-33H,6,11-12,14-16H2,(H,29,34)/t19?,20?,21?,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50309161 ((2R,3R)-N-((4-((6-chlorocyclohexa-2,4-dienyl)methy...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1cc(CC2C=CC=CC2Cl)cs1 |r,c:29,31| Show InChI InChI=1S/C26H28Cl2N2O4S/c27-19-7-3-6-18(13-19)22-9-4-10-30(22)26(34)24(32)23(31)25(33)29-14-20-12-16(15-35-20)11-17-5-1-2-8-21(17)28/h1-3,5-8,12-13,15,17,21-24,31-32H,4,9-11,14H2,(H,29,33)/t17?,21?,22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50309149 ((2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-N-(2-(thiophe...) Show SMILES CN(CCc1cccs1)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1cccc(C)c1 |r| Show InChI InChI=1S/C22H28N2O4S/c1-15-6-3-7-16(14-15)18-9-4-11-24(18)22(28)20(26)19(25)21(27)23(2)12-10-17-8-5-13-29-17/h3,5-8,13-14,18-20,25-26H,4,9-12H2,1-2H3/t18?,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Cambridge Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 1189-93 (2010) Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343951 ((2R,3R)-2,3-dihydroxy-4-oxo-4-((R)-2-phenylpyrroli...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccsc1 |r| Show InChI InChI=1S/C25H26N2O4S/c28-22(23(29)25(31)27-13-4-7-21(27)19-5-2-1-3-6-19)24(30)26-15-17-8-10-18(11-9-17)20-12-14-32-16-20/h1-3,5-6,8-12,14,16,21-23,28-29H,4,7,13,15H2,(H,26,30)/t21-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) was determined by HTRF assay				Bioorg Med Chem Lett 13: 3185-90 (2003) BindingDB Entry DOI: 10.7270/Q2TQ6229
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50132574 ((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...) Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(F)(F)F Show InChI InChI=1S/C25H28F3NO4/c1-5-7-17-13-19-22(33-29-23(19)25(26,27)28)18(8-6-2)20(17)32-21(24(30)31)16-11-9-15(10-12-16)14(3)4/h9-14,21H,5-8H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay				Bioorg Med Chem Lett 13: 3185-90 (2003) BindingDB Entry DOI: 10.7270/Q2TQ6229
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125051 (US8772511, 16 | US9714242, 16) Show SMILES COc1cccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wU:23.24,(10.33,-3.33,;9.56,-2,;8.02,-2,;7.25,-3.33,;5.71,-3.33,;4.94,-2,;5.71,-.67,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;.32,3.33,;-1.22,3.33,;-1.99,2,;-3.5,1.68,;-3.66,.15,;-2.25,-.48,;-1.22,.67,;.32,.67,;-4.99,-.62,;-4.99,-2.16,;-6.33,.15,;-7.66,-.62,;-7.66,-2.16,;-8.99,-2.93,;-10.33,-2.16,;-10.33,-.62,;-8.99,.15,;-8.22,-1.18,;-9.71,-1.58,;7.25,-.67,)| Show InChI InChI=1S/C24H26N4O3S/c1-31-19-4-2-3-17(12-19)25-24(30)26-18-6-5-16-11-22(32-21(16)13-18)23(29)27-20-14-28-9-7-15(20)8-10-28/h2-6,11-13,15,20H,7-10,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	-41.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343987 ((2R,3R)-2,3-dihydroxy-4-oxo-4-((R)-2-phenylpyrroli...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C26H27N3O4/c30-23(24(31)26(33)29-16-4-7-22(29)21-5-2-1-3-6-21)25(32)28-17-18-8-10-19(11-9-18)20-12-14-27-15-13-20/h1-3,5-6,8-15,22-24,30-31H,4,7,16-17H2,(H,28,32)/t22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50132567 ((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...) Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C22H22F3NO4/c1-3-8-14-12-16-19(30-26-20(16)22(23,24)25)15(9-4-2)17(14)29-18(21(27)28)13-10-6-5-7-11-13/h5-7,10-12,18H,3-4,8-9H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay				Bioorg Med Chem Lett 13: 3185-90 (2003) BindingDB Entry DOI: 10.7270/Q2TQ6229
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM125052 (US8772511, 21 | US9714242, 21) Show SMILES O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:22.24,(4.55,.67,;3.78,-.67,;4.55,-2,;6.09,-2,;6.86,-.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.12,-1.2,;-8.61,-1.6,)| Show InChI InChI=1S/C23H24N4O2S/c28-22(25-19-14-27-11-9-15(19)10-12-27)20-13-16-5-4-8-18(21(16)30-20)26-23(29)24-17-6-2-1-3-7-17/h1-8,13,15,19H,9-12,14H2,(H,25,28)(H2,24,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol, 1999, 38, 679-690.Rat brain t...				US Patent US9714242 (2017) BindingDB Entry DOI: 10.7270/Q2M61N83
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343979 ((2R,3R)-N-((2'-cyanobiphenyl-4-yl)methyl)-2,3-dihy...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccccc1C#N |r| Show InChI InChI=1S/C28H27N3O4/c29-17-22-9-4-5-10-23(22)20-14-12-19(13-15-20)18-30-27(34)25(32)26(33)28(35)31-16-6-11-24(31)21-7-2-1-3-8-21/h1-5,7-10,12-15,24-26,32-33H,6,11,16,18H2,(H,30,34)/t24-,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50177574 (3-(4-(2-methoxybenzyloxy)phenylsulfonyl)-N-mesityl...) Show SMILES COc1ccccc1COc1ccc(cc1)S(=O)(=O)c1ccc(C)nc1Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C29H30N2O4S/c1-19-16-20(2)28(21(3)17-19)31-29-27(15-10-22(4)30-29)36(32,33)25-13-11-24(12-14-25)35-18-23-8-6-7-9-26(23)34-5/h6-17H,18H2,1-5H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenates				Bioorg Med Chem Lett 16: 934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.10.097 BindingDB Entry DOI: 10.7270/Q2J102Q5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343955 (CHEMBL1779626 | rac-(2R,3R)-4-(2-(3-chlorophenyl)p...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cc1)-c1cscn1 |r| Show InChI InChI=1S/C24H24ClN3O4S/c25-18-4-1-3-17(11-18)20-5-2-10-28(20)24(32)22(30)21(29)23(31)26-12-15-6-8-16(9-7-15)19-13-33-14-27-19/h1,3-4,6-9,11,13-14,20-22,29-30H,2,5,10,12H2,(H,26,31)/t20?,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50132564 ((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...) Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F6NO4/c1-3-5-13-11-16-19(34-30-20(16)23(27,28)29)15(6-4-2)17(13)33-18(21(31)32)12-7-9-14(10-8-12)22(24,25)26/h7-11,18H,3-6H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 3185-90 (2003) BindingDB Entry DOI: 10.7270/Q2TQ6229
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50132561 ((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...) Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(OCc2ccccn2)cc1)C(F)(F)F Show InChI InChI=1S/C28H27F3N2O5/c1-3-7-18-15-22-25(38-33-26(22)28(29,30)31)21(8-4-2)23(18)37-24(27(34)35)17-10-12-20(13-11-17)36-16-19-9-5-6-14-32-19/h5-6,9-15,24H,3-4,7-8,16H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay				Bioorg Med Chem Lett 13: 3185-90 (2003) BindingDB Entry DOI: 10.7270/Q2TQ6229
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50343969 ((2R,3R)-N-((5-benzylthiophen-2-yl)methyl)-4-((R)-2...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccccc2)s1 |r| Show InChI InChI=1S/C26H27ClN2O4S/c27-19-9-4-8-18(15-19)22-10-5-13-29(22)26(33)24(31)23(30)25(32)28-16-21-12-11-20(34-21)14-17-6-2-1-3-7-17/h1-4,6-9,11-12,15,22-24,30-31H,5,10,13-14,16H2,(H,28,32)/t22-,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
					More data for this Ligand-Target Pair

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