Compile Data Set for Download or QSAR

Found 8 hits of non-affinity data for polymerid = 2449   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28308 ((2S)-2-{[4-(4-chlorophenyl)benzene](methyl)sulfona...) Show SMILES CN([C@@H](Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H20ClNO4S/c1-24(21(22(25)26)15-16-5-3-2-4-6-16)29(27,28)20-13-9-18(10-14-20)17-7-11-19(23)12-8-17/h2-14,21H,15H2,1H3,(H,25,26)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	37
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28309 ((2R)-2-{[4-(4-chlorophenyl)benzene](cyclopropylmet...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(CC1CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H24ClNO4S/c26-22-12-8-20(9-13-22)21-10-14-23(15-11-21)32(30,31)27(17-19-6-7-19)24(25(28)29)16-18-4-2-1-3-5-18/h1-5,8-15,19,24H,6-7,16-17H2,(H,28,29)/t24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	37
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28310 ((2R)-2-{[4-(4-chlorophenyl)benzene](cyclohexylmeth...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(CC1CCCCC1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H30ClNO4S/c29-25-15-11-23(12-16-25)24-13-17-26(18-14-24)35(33,34)30(20-22-9-5-2-6-10-22)27(28(31)32)19-21-7-3-1-4-8-21/h1,3-4,7-8,11-18,22,27H,2,5-6,9-10,19-20H2,(H,31,32)/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	37
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28322 ((1R,2S)-1-{[4-(3-methoxyprop-1-yn-1-yl)benzene][2-...) Show SMILES COCC#Cc1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H28N2O6S/c1-34-18-6-7-20-11-13-22(14-12-20)35(32,33)28(17-16-27-15-5-10-24(27)29)26(25(30)31)19-23(26)21-8-3-2-4-9-21/h2-4,8-9,11-14,23H,5,10,15-19H2,1H3,(H,30,31)/t23-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	37
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28315 ((2R)-2-{[4-(4-chlorophenyl)benzene][2-(2-oxopyrrol...) Show SMILES C[C@](Cc1ccccc1)(N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29ClN2O5S/c1-28(27(33)34,20-21-6-3-2-4-7-21)31(19-18-30-17-5-8-26(30)32)37(35,36)25-15-11-23(12-16-25)22-9-13-24(29)14-10-22/h2-4,6-7,9-16H,5,8,17-20H2,1H3,(H,33,34)/t28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	37
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28320 ((1R,2S)-1-{[2-(2-oxopyrrolidin-1-yl)ethyl][4-(pyri...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C27H27N3O5S/c31-25-7-4-16-29(25)17-18-30(27(26(32)33)19-24(27)22-5-2-1-3-6-22)36(34,35)23-10-8-20(9-11-23)21-12-14-28-15-13-21/h1-3,5-6,8-15,24H,4,7,16-19H2,(H,32,33)/t24-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	37
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28321 ((1R,2S)-1-{[4-(3-hydroxyprop-1-yn-1-yl)benzene][2-...) Show SMILES OCC#Cc1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H26N2O6S/c28-17-5-6-19-10-12-21(13-11-19)34(32,33)27(16-15-26-14-4-9-23(26)29)25(24(30)31)18-22(25)20-7-2-1-3-8-20/h1-3,7-8,10-13,22,28H,4,9,14-18H2,(H,30,31)/t22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	37
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28311 ((2R)-2-{benzyl[4-(4-chlorophenyl)benzene]sulfonami...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H24ClNO4S/c29-25-15-11-23(12-16-25)24-13-17-26(18-14-24)35(33,34)30(20-22-9-5-2-6-10-22)27(28(31)32)19-21-7-3-1-4-8-21/h1-18,27H,19-20H2,(H,31,32)/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	37
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
					More data for this Ligand-Target Pair