Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 33'   

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 33 (Homo sapiens (Human))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of ADAM33				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125925 (US8772478, 14) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCOCC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H28N4O6S/c1-17-14-18(21-4-2-3-5-22(21)26-17)16-34-19-6-8-20(9-7-19)35(31,32)25-15-23(24(29)27-30)28-10-12-33-13-11-28/h2-9,14,23,25,30H,10-13,15-16H2,1H3,(H,27,29)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125923 (US8772478, 15 | US8772478, 8) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCCCC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H30N4O5S/c1-18-15-19(22-7-3-4-8-23(22)27-18)17-34-20-9-11-21(12-10-20)35(32,33)26-16-24(25(30)28-31)29-13-5-2-6-14-29/h3-4,7-12,15,24,26,31H,2,5-6,13-14,16-17H2,1H3,(H,28,30)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125925 (US8772478, 14) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCOCC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H28N4O6S/c1-17-14-18(21-4-2-3-5-22(21)26-17)16-34-19-6-8-20(9-7-19)35(31,32)25-15-23(24(29)27-30)28-10-12-33-13-11-28/h2-9,14,23,25,30H,10-13,15-16H2,1H3,(H,27,29)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125923 (US8772478, 15 | US8772478, 8) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCCCC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H30N4O5S/c1-18-15-19(22-7-3-4-8-23(22)27-18)17-34-20-9-11-21(12-10-20)35(32,33)26-16-24(25(30)28-31)29-13-5-2-6-14-29/h3-4,7-12,15,24,26,31H,2,5-6,13-14,16-17H2,1H3,(H,28,30)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	112	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125922 (US8772478, 7) Show SMILES ONC(=O)[C@H](CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)N1CCOCC1 Show InChI InChI=1S/C20H25N3O6S/c24-20(22-25)19(23-10-12-28-13-11-23)14-21-30(26,27)18-8-6-17(7-9-18)29-15-16-4-2-1-3-5-16/h1-9,19,21,25H,10-15H2,(H,22,24)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	147	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125919 (US8772478, 3) Show SMILES ONC(=O)[C@H](CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1)N1CCCCC1 Show InChI InChI=1S/C21H26FN3O5S/c22-17-6-4-16(5-7-17)15-30-18-8-10-19(11-9-18)31(28,29)23-14-20(21(26)24-27)25-12-2-1-3-13-25/h4-11,20,23,27H,1-3,12-15H2,(H,24,26)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	181	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125917 (US8772478, 1) Show SMILES ONC(=O)[C@H](CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)N1CCCCC1 Show InChI InChI=1S/C21H27N3O5S/c25-21(23-26)20(24-13-5-2-6-14-24)15-22-30(27,28)19-11-9-18(10-12-19)29-16-17-7-3-1-4-8-17/h1,3-4,7-12,20,22,26H,2,5-6,13-16H2,(H,23,25)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	181	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125920 (US8772478, 5) Show SMILES ONC(=O)[C@H](CNS(=O)(=O)c1ccc(OCc2ccc3ccccc3c2)cc1)N1CCCCC1 Show InChI InChI=1S/C25H29N3O5S/c29-25(27-30)24(28-14-4-1-5-15-28)17-26-34(31,32)23-12-10-22(11-13-23)33-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-13,16,24,26,30H,1,4-5,14-15,17-18H2,(H,27,29)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	249	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125918 (US8772478, 2) Show SMILES ONC(=O)[C@H](CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)N1CCCC1 Show InChI InChI=1S/C20H25N3O5S/c24-20(22-25)19(23-12-4-5-13-23)14-21-29(26,27)18-10-8-17(9-11-18)28-15-16-6-2-1-3-7-16/h1-3,6-11,19,21,25H,4-5,12-15H2,(H,22,24)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	298	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125921 (US8772478, 6) Show SMILES ONC(=O)[C@H](CNS(=O)(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CCCCC1 Show InChI InChI=1S/C21H25Cl2N3O5S/c22-18-9-4-15(12-19(18)23)14-31-16-5-7-17(8-6-16)32(29,30)24-13-20(21(27)25-28)26-10-2-1-3-11-26/h4-9,12,20,24,28H,1-3,10-11,13-14H2,(H,25,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	328	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM125924 (US8772478, 9) Show SMILES ONC(=O)[C@H](CNS(=O)(=O)c1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)N1CCCCC1 Show InChI InChI=1S/C21H25Cl2N3O5S/c22-16-10-15(11-17(23)12-16)14-31-18-4-6-19(7-5-18)32(29,30)24-13-20(21(27)25-28)26-8-2-1-3-9-26/h4-7,10-12,20,24,28H,1-3,8-9,13-14H2,(H,25,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	469	n/a	n/a	n/a	n/a	7.4	n/a
Galderma Research & Development US Patent					Assay Description The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...				US Patent US8772478 (2014) BindingDB Entry DOI: 10.7270/Q29Z93JW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM50203527 ((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...) Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of ADAM33				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 33 (Homo sapiens (Human))	BDBM50265157 ((6S,7S)-N-hydroxy-5-methyl-6-(4-(5-(trifluoromethy...) Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NO |r| Show InChI InChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)10-14(17(29)25-31)16(26)18(30)28-8-6-27(7-9-28)15-3-2-13(11-24-15)20(21,22)23/h2-3,11,14,16,31H,4-10,12H2,1H3,(H,25,29)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of ADAM33				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair