Compile Data Set for Download or QSAR

Found 57 hits of ic50 data for polymerid = 2449   

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
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28339 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(7H-purin...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnc2ncncc12)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H24ClN5O4S/c30-23-10-6-20(7-11-23)21-8-12-24(13-9-21)40(38,39)35(15-14-34-19-33-27-26(34)17-31-18-32-27)29(28(36)37)16-25(29)22-4-2-1-3-5-22/h1-13,17-19,25H,14-16H2,(H,36,37)/t25-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28337 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene]({2-[4-(meth...) Show SMILES COC(=O)c1cn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cn1 |r| Show InChI InChI=1S/C29H26ClN3O6S/c1-39-27(34)26-18-32(19-31-26)15-16-33(29(28(35)36)17-25(29)22-5-3-2-4-6-22)40(37,38)24-13-9-21(10-14-24)20-7-11-23(30)12-8-20/h2-14,18-19,25H,15-17H2,1H3,(H,35,36)/t25-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28327 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(3-methox...) Show SMILES COc1cccn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c1=O |r| Show InChI InChI=1S/C30H27ClN2O6S/c1-39-27-8-5-17-32(28(27)34)18-19-33(30(29(35)36)20-26(30)23-6-3-2-4-7-23)40(37,38)25-15-11-22(12-16-25)21-9-13-24(31)14-10-21/h2-17,26H,18-20H2,1H3,(H,35,36)/t26-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	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))	BDBM28340 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(9H-purin...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnc2cncnc12)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H24ClN5O4S/c30-23-10-6-20(7-11-23)21-8-12-24(13-9-21)40(38,39)35(15-14-34-19-33-26-17-31-18-32-27(26)34)29(28(36)37)16-25(29)22-4-2-1-3-5-22/h1-13,17-19,25H,14-16H2,(H,36,37)/t25-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28326 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxo-1,...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCOC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H27ClN2O6S/c29-23-11-7-20(8-12-23)21-9-13-24(14-10-21)38(35,36)31(17-16-30-15-4-18-37-27(30)34)28(26(32)33)19-25(28)22-5-2-1-3-6-22/h1-3,5-14,25H,4,15-19H2,(H,32,33)/t25-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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))	BDBM28332 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(1H-1,2,4...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cncn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)31(15-14-30-18-28-17-29-30)26(25(32)33)16-24(26)21-4-2-1-3-5-21/h1-13,17-18,24H,14-16H2,(H,32,33)/t24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28333 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(4H-1,2,4...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)31(15-14-30-17-28-29-18-30)26(25(32)33)16-24(26)21-4-2-1-3-5-21/h1-13,17-18,24H,14-16H2,(H,32,33)/t24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28314 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxopyr...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H27ClN2O5S/c29-23-12-8-20(9-13-23)21-10-14-24(15-11-21)37(35,36)31(18-17-30-16-4-7-26(30)32)28(27(33)34)19-25(28)22-5-2-1-3-6-22/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,33,34)/t25-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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))	BDBM28325 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxopip...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H29ClN2O5S/c30-24-13-9-21(10-14-24)22-11-15-25(16-12-22)38(36,37)32(19-18-31-17-5-4-8-27(31)33)29(28(34)35)20-26(29)23-6-2-1-3-7-23/h1-3,6-7,9-16,26H,4-5,8,17-20H2,(H,34,35)/t26-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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))	BDBM28324 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxo-1,...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCOC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H25ClN2O6S/c28-22-10-6-19(7-11-22)20-8-12-23(13-9-20)37(34,35)30(15-14-29-16-17-36-26(29)33)27(25(31)32)18-24(27)21-4-2-1-3-5-21/h1-13,24H,14-18H2,(H,31,32)/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	220	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))	BDBM28338 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene]({2-[5-(meth...) Show SMILES COC(=O)c1cncn1CCN([C@@]1(C[C@H]1c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H26ClN3O6S/c1-39-27(34)26-18-31-19-32(26)15-16-33(29(28(35)36)17-25(29)22-5-3-2-4-6-22)40(37,38)24-13-9-21(10-14-24)20-7-11-23(30)12-8-20/h2-14,18-19,25H,15-17H2,1H3,(H,35,36)/t25-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28334 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2H-1,2,3...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1nccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)30(16-17-31-28-14-15-29-31)26(25(32)33)18-24(26)21-4-2-1-3-5-21/h1-15,24H,16-18H2,(H,32,33)/t24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28336 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(1H-1,2,3...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnnn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClN5O4S/c26-21-10-6-18(7-11-21)19-8-12-22(13-9-19)36(34,35)31(15-14-30-17-27-28-29-30)25(24(32)33)16-23(25)20-4-2-1-3-5-20/h1-13,17,23H,14-16H2,(H,32,33)/t23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28335 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(1H-1,2,3...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1ccnn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)31(17-16-30-15-14-28-29-30)26(25(32)33)18-24(26)21-4-2-1-3-5-21/h1-15,24H,16-18H2,(H,32,33)/t24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28329 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(pyridin-...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1cccnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H25ClN2O4S/c30-25-12-8-22(9-13-25)23-10-14-26(15-11-23)37(35,36)32(18-16-21-5-4-17-31-20-21)29(28(33)34)19-27(29)24-6-2-1-3-7-24/h1-15,17,20,27H,16,18-19H2,(H,33,34)/t27-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM28323 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2,5-diox...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1C(=O)CCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H25ClN2O6S/c29-22-10-6-19(7-11-22)20-8-12-23(13-9-20)38(36,37)31(17-16-30-25(32)14-15-26(30)33)28(27(34)35)18-24(28)21-4-2-1-3-5-21/h1-13,24H,14-18H2,(H,34,35)/t24-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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))	BDBM28331 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(1H-imida...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1ccnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H24ClN3O4S/c28-23-10-6-20(7-11-23)21-8-12-24(13-9-21)36(34,35)31(17-16-30-15-14-29-19-30)27(26(32)33)18-25(27)22-4-2-1-3-5-22/h1-15,19,25H,16-18H2,(H,32,33)/t25-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM24019 (1-benzyl-5-methyl-5'-(4-methylphenyl)-1,2-dihydro-...) Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:8| Show InChI InChI=1S/C24H21N3OS/c1-16-8-11-19(12-9-16)22-25-26-24(29-22)20-14-17(2)10-13-21(20)27(23(24)28)15-18-6-4-3-5-7-18/h3-14,26H,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24008 (1-benzyl-5'-(4-methoxyphenyl)-5-methyl-1,2-dihydro...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:9| Show InChI InChI=1S/C24H21N3O2S/c1-16-8-13-21-20(14-16)24(23(28)27(21)15-17-6-4-3-5-7-17)26-25-22(30-24)18-9-11-19(29-2)12-10-18/h3-14,26H,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28328 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(pyridin-...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1ccncc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H25ClN2O4S/c30-25-10-6-22(7-11-25)23-8-12-26(13-9-23)37(35,36)32(19-16-21-14-17-31-18-15-21)29(28(33)34)20-27(29)24-4-2-1-3-5-24/h1-15,17-18,27H,16,19-20H2,(H,33,34)/t27-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	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))	BDBM24006 (5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...) Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14| Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28330 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(pyridin-...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H25ClN2O4S/c30-24-13-9-21(10-14-24)22-11-15-26(16-12-22)37(35,36)32(19-17-25-8-4-5-18-31-25)29(28(33)34)20-27(29)23-6-2-1-3-7-23/h1-16,18,27H,17,19-20H2,(H,33,34)/t27-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM24007 (1-benzyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccccc21 |t:9| Show InChI InChI=1S/C23H19N3O2S/c1-28-18-13-11-17(12-14-18)21-24-25-23(29-21)19-9-5-6-10-20(19)26(22(23)27)15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28316 ((1R,2S)-1-({[4-(4-chlorophenyl)-1,2,3,6-tetrahydro...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1 |r,c:30| Show InChI InChI=1S/C27H30ClN3O5S/c28-23-10-8-20(9-11-23)21-12-15-30(16-13-21)37(35,36)31(18-17-29-14-4-7-25(29)32)27(26(33)34)19-24(27)22-5-2-1-3-6-22/h1-3,5-6,8-12,24H,4,7,13-19H2,(H,33,34)/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	880	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))	BDBM24009 (5'-(4-methoxyphenyl)-5-methyl-1-(2-methylphenyl)-1...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:9| Show InChI InChI=1S/C24H21N3O2S/c1-15-8-13-21-19(14-15)24(23(28)27(21)20-7-5-4-6-16(20)2)26-25-22(30-24)17-9-11-18(29-3)12-10-17/h4-14,26H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24022 (1-benzyl-5'-(4-methoxyphenyl)-5-methyl-6-propyl-1,...) Show SMILES CCCc1cc2N(Cc3ccccc3)C(=O)C3(NN=C(S3)c3ccc(OC)cc3)c2cc1C |c:19| Show InChI InChI=1S/C27H27N3O2S/c1-4-8-21-16-24-23(15-18(21)2)27(26(31)30(24)17-19-9-6-5-7-10-19)29-28-25(33-27)20-11-13-22(32-3)14-12-20/h5-7,9-16,29H,4,8,17H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28317 ((1R,2S)-1-{[6-(4-chlorophenyl)pyridine-3-][2-(2-ox...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(nc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClN3O5S/c28-21-10-8-20(9-11-21)24-13-12-22(18-29-24)37(35,36)31(16-15-30-14-4-7-25(30)32)27(26(33)34)17-23(27)19-5-2-1-3-6-19/h1-3,5-6,8-13,18,23H,4,7,14-17H2,(H,33,34)/t23-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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))	BDBM24013 (6-chloro-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1cc(Cl)ccc21 |t:9| Show InChI InChI=1S/C16H12ClN3O2S/c1-22-11-5-2-9(3-6-11)14-19-20-16(23-14)12-7-4-10(17)8-13(12)18-15(16)21/h2-8,20H,1H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24018 (5-methyl-1-(2-methylphenyl)-5'-(4-methylphenyl)-1,...) Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:8| Show InChI InChI=1S/C24H21N3OS/c1-15-8-11-18(12-9-15)22-25-26-24(29-22)19-14-16(2)10-13-21(19)27(23(24)28)20-7-5-4-6-17(20)3/h4-14,26H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24004 (5-ethyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spiro...) Show SMILES CCc1ccc2NC(=O)C3(NN=C(S3)c3ccc(OC)cc3)c2c1 |c:11| Show InChI InChI=1S/C18H17N3O2S/c1-3-11-4-9-15-14(10-11)18(17(22)19-15)21-20-16(24-18)12-5-7-13(23-2)8-6-12/h4-10,21H,3H2,1-2H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24012 (5'-(4-methoxyphenyl)-6-methyl-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1cc(C)ccc21 |t:9| Show InChI InChI=1S/C17H15N3O2S/c1-10-3-8-13-14(9-10)18-16(21)17(13)20-19-15(23-17)11-4-6-12(22-2)7-5-11/h3-9,20H,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24001 (5'-(4-methylphenyl)-6-propyl-1,2-dihydro-3'H-spiro...) Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(C)cc2)c1 |c:14| Show InChI InChI=1S/C19H19N3OS/c1-3-4-13-7-10-15-16(11-13)20-18(23)19(15)22-21-17(24-19)14-8-5-12(2)6-9-14/h5-11,22H,3-4H2,1-2H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24021 (1-(4-chlorophenyl)-5'-(4-methoxyphenyl)-5-methyl-1...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C23H18ClN3O2S/c1-14-3-12-20-19(13-14)23(22(28)27(20)17-8-6-16(24)7-9-17)26-25-21(30-23)15-4-10-18(29-2)11-5-15/h3-13,26H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28313 ((2R)-2-{[4-(4-chlorophenyl)benzene][2-(2-oxopyrrol...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN2O5S/c28-23-12-8-21(9-13-23)22-10-14-24(15-11-22)36(34,35)30(18-17-29-16-4-7-26(29)31)25(27(32)33)19-20-5-2-1-3-6-20/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,32,33)/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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))	BDBM24000 (5-ethyl-5'-(4-methylphenyl)-1,2-dihydro-3'H-spiro[...) Show SMILES CCc1ccc2NC(=O)C3(NN=C(S3)c3ccc(C)cc3)c2c1 |c:11| Show InChI InChI=1S/C18H17N3OS/c1-3-12-6-9-15-14(10-12)18(17(22)19-15)21-20-16(23-18)13-7-4-11(2)5-8-13/h4-10,21H,3H2,1-2H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24005 (5-chloro-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(Cl)cc21 |t:9| Show InChI InChI=1S/C16H12ClN3O2S/c1-22-11-5-2-9(3-6-11)14-19-20-16(23-14)12-8-10(17)4-7-13(12)18-15(16)21/h2-8,20H,1H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24010 (5-bromo-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spiro...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(Br)cc21 |t:9| Show InChI InChI=1S/C16H12BrN3O2S/c1-22-11-5-2-9(3-6-11)14-19-20-16(23-14)12-8-10(17)4-7-13(12)18-15(16)21/h2-8,20H,1H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24003 (5'-(4-methoxyphenyl)-5-methyl-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(C)cc21 |t:9| Show InChI InChI=1S/C17H15N3O2S/c1-10-3-8-14-13(9-10)17(16(21)18-14)20-19-15(23-17)11-4-6-12(22-2)7-5-11/h3-9,20H,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24016 (1,5'-diphenyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1...) Show SMILES O=C1N(c2ccccc2C11NN=C(S1)c1ccccc1)c1ccccc1 |c:13| Show InChI InChI=1S/C21H15N3OS/c25-20-21(23-22-19(26-21)15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(20)16-11-5-2-6-12-16/h1-14,23H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM23999 (5-methyl-5'-(4-methylphenyl)-1,2-dihydro-3'H-spiro...) Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(C)cc21 |t:8| Show InChI InChI=1S/C17H15N3OS/c1-10-3-6-12(7-4-10)15-19-20-17(22-15)13-9-11(2)5-8-14(13)18-16(17)21/h3-9,20H,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24015 (5'-phenyl-1-(propan-2-yl)-1,2-dihydro-3'H-spiro[in...) Show SMILES CC(C)N1C(=O)C2(NN=C(S2)c2ccccc2)c2ccccc12 |c:8| Show InChI InChI=1S/C18H17N3OS/c1-12(2)21-15-11-7-6-10-14(15)18(17(21)22)20-19-16(23-18)13-8-4-3-5-9-13/h3-12,20H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28306 ((2R)-2-{[4-(4-chlorophenyl)benzene]sulfonamido}-3-...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H18ClNO4S/c22-18-10-6-16(7-11-18)17-8-12-19(13-9-17)28(26,27)23-20(21(24)25)14-15-4-2-1-3-5-15/h1-13,20,23H,14H2,(H,24,25)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	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))	BDBM23998 (5'-(4-methylphenyl)-1,2-dihydro-3'H-spiro[indole-3...) Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccccc21 |t:8| Show InChI InChI=1S/C16H13N3OS/c1-10-6-8-11(9-7-10)14-18-19-16(21-14)12-4-2-3-5-13(12)17-15(16)20/h2-9,19H,1H3,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24011 (5'-(4-methoxyphenyl)-5-nitro-1,2-dihydro-3'H-spiro...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(cc21)[N+]([O-])=O |t:9| Show InChI InChI=1S/C16H12N4O4S/c1-24-11-5-2-9(3-6-11)14-18-19-16(25-14)12-8-10(20(22)23)4-7-13(12)17-15(16)21/h2-8,19H,1H3,(H,17,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28319 ((1R,2S)-1-{[4-(4-acetamidophenyl)benzene][2-(2-oxo...) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C30H31N3O6S/c1-21(34)31-25-13-9-22(10-14-25)23-11-15-26(16-12-23)40(38,39)33(19-18-32-17-5-8-28(32)35)30(29(36)37)20-27(30)24-6-3-2-4-7-24/h2-4,6-7,9-16,27H,5,8,17-20H2,1H3,(H,31,34)(H,36,37)/t27-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	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))	BDBM24017 (1-methyl-5'-(4-methylphenyl)-1,2-dihydro-3'H-spiro...) Show SMILES CN1C(=O)C2(NN=C(S2)c2ccc(C)cc2)c2ccccc12 |c:6| Show InChI InChI=1S/C17H15N3OS/c1-11-7-9-12(10-8-11)15-18-19-17(22-15)13-5-3-4-6-14(13)20(2)16(17)21/h3-10,19H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28318 ((1R,2S)-1-({4-[4-(dimethylamino)phenyl]benzene}[2-...) Show SMILES CN(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C30H33N3O5S/c1-31(2)25-14-10-22(11-15-25)23-12-16-26(17-13-23)39(37,38)33(20-19-32-18-6-9-28(32)34)30(29(35)36)21-27(30)24-7-4-3-5-8-24/h3-5,7-8,10-17,27H,6,9,18-21H2,1-2H3,(H,35,36)/t27-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	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))	BDBM23997 (5'-phenyl-5-(trifluoromethoxy)-1,2-dihydro-3'H-spi...) Show SMILES FC(F)(F)Oc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:14| Show InChI InChI=1S/C16H10F3N3O2S/c17-16(18,19)24-10-6-7-12-11(8-10)15(14(23)20-12)22-21-13(25-15)9-4-2-1-3-5-9/h1-8,22H,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28312 ((2R)-2-{[4-(4-chlorophenyl)benzene](2-phenylethyl)...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(CCc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H26ClNO4S/c30-26-15-11-24(12-16-26)25-13-17-27(18-14-25)36(34,35)31(20-19-22-7-3-1-4-8-22)28(29(32)33)21-23-9-5-2-6-10-23/h1-18,28H,19-21H2,(H,32,33)/t28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	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))	BDBM24020 (5'-(4-methoxyphenyl)-1-methyl-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(C)c1ccccc21 |t:9| Show InChI InChI=1S/C17H15N3O2S/c1-20-14-6-4-3-5-13(14)17(16(20)21)19-18-15(23-17)11-7-9-12(22-2)10-8-11/h3-10,19H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair

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