Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50034064   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50356215 (CHEMBL1910473) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-21(10-14-23)20-7-11-22(12-8-20)32-16-19-5-3-18(15-26)4-6-19/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356214 (CHEMBL1910471) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-12-8-21(9-13-23)20-6-10-22(11-7-20)32-16-19-5-3-4-18(14-19)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356209 (CHEMBL1910466) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(C)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H26N2O5S/c1-16(2)23(24(27)28)26-32(29,30)22-10-6-20(7-11-22)19-4-8-21(9-5-19)31-15-18-12-13-25-17(3)14-18/h4-14,16,23,26H,15H2,1-3H3,(H,27,28)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356210 (CHEMBL1910467) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23F3N2O5S/c1-15(2)22(23(30)31)29-35(32,33)20-9-5-18(6-10-20)17-3-7-19(8-4-17)34-14-16-11-12-28-21(13-16)24(25,26)27/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356208 (CHEMBL1910465) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccncc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H24N2O5S/c1-16(2)22(23(26)27)25-31(28,29)21-9-5-19(6-10-21)18-3-7-20(8-4-18)30-15-17-11-13-24-14-12-17/h3-14,16,22,25H,15H2,1-2H3,(H,26,27)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356222 (CHEMBL1910648) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Cl)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24ClNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356218 (CHEMBL1910476) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N2O7S/c1-16(2)23(24(27)28)25-34(31,32)22-12-8-19(9-13-22)18-6-10-21(11-7-18)33-15-17-4-3-5-20(14-17)26(29)30/h3-14,16,23,25H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356206 (CHEMBL1910459) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc3ccccc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)26-15-11-23(12-16-26)22-9-13-25(14-10-22)34-18-20-7-8-21-5-3-4-6-24(21)17-20/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356216 (CHEMBL1910474) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-13-7-19(8-14-22)18-5-11-21(12-6-18)34-15-17-3-9-20(10-4-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356221 (CHEMBL1910647) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(F)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356219 (CHEMBL1910649) Show SMILES COC(=O)c1cccc(COc2ccc(cc2)-c2ccc(cc2)S(=O)(=O)N[C@H](C(C)C)C(O)=O)c1 |r| Show InChI InChI=1S/C26H27NO7S/c1-17(2)24(25(28)29)27-35(31,32)23-13-9-20(10-14-23)19-7-11-22(12-8-19)34-16-18-5-4-6-21(15-18)26(30)33-3/h4-15,17,24,27H,16H2,1-3H3,(H,28,29)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356220 (CHEMBL1910650) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C25H25NO7S/c1-16(2)23(25(29)30)26-34(31,32)22-12-8-19(9-13-22)18-6-10-21(11-7-18)33-15-17-4-3-5-20(14-17)24(27)28/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)(H,29,30)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356203 (CHEMBL1910472) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-12-8-19(9-13-22)18-6-10-21(11-7-18)34-15-17-4-3-5-20(14-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM24047 ((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27NO6S/c1-17(2)26(27(29)30)28-35(31,32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)33-16-25-18(3)23-6-4-5-7-24(23)34-25/h4-15,17,26,28H,16H2,1-3H3,(H,29,30)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356213 (CHEMBL1910470) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-19(10-14-23)18-7-11-22(12-8-18)32-16-21-6-4-3-5-20(21)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356207 (CHEMBL1910460) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N2O5S/c1-18(2)26(27(30)31)29-35(32,33)23-13-9-20(10-14-23)19-7-11-22(12-8-19)34-17-21-15-16-28-25-6-4-3-5-24(21)25/h3-16,18,26,29H,17H2,1-2H3,(H,30,31)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356204 (CHEMBL1910453) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H25NO5S/c1-17(2)23(24(26)27)25-31(28,29)22-14-10-20(11-15-22)19-8-12-21(13-9-19)30-16-18-6-4-3-5-7-18/h3-15,17,23,25H,16H2,1-2H3,(H,26,27)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356205 (CHEMBL1910458) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)25-16-12-21(13-17-25)20-10-14-24(15-11-20)34-18-23-8-5-7-22-6-3-4-9-26(22)23/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356242 (CHEMBL1910461) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O5S/c1-18(2)27(28(31)32)30-36(33,34)24-14-10-21(11-15-24)20-8-12-23(13-9-20)35-17-22-16-19(3)29-26-7-5-4-6-25(22)26/h4-16,18,27,30H,17H2,1-3H3,(H,31,32)/t27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356217 (CHEMBL1910475) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(C)c2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H26F3NO5S/c1-16(2)24(25(31)32)30-36(33,34)23-13-9-19(10-14-23)18-7-11-22(12-8-18)35-17(3)20-5-4-6-21(15-20)26(27,28)29/h4-17,24,30H,1-3H3,(H,31,32)/t17?,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356203 (CHEMBL1910472) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-12-8-19(9-13-22)18-6-10-21(11-7-18)34-15-17-4-3-5-20(14-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356222 (CHEMBL1910648) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Cl)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24ClNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356224 (CHEMBL1910449) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CNC(C)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24N2O5S/c1-13(2)19(20(24)25)22-28(26,27)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-21-14(3)23/h4-11,13,19,22H,12H2,1-3H3,(H,21,23)(H,24,25)/t19-/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	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356223 (CHEMBL1910651) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Br)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24BrNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356224 (CHEMBL1910449) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CNC(C)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24N2O5S/c1-13(2)19(20(24)25)22-28(26,27)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-21-14(3)23/h4-11,13,19,22H,12H2,1-3H3,(H,21,23)(H,24,25)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356242 (CHEMBL1910461) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O5S/c1-18(2)27(28(31)32)30-36(33,34)24-14-10-21(11-15-24)20-8-12-23(13-9-20)35-17-22-16-19(3)29-26-7-5-4-6-25(22)26/h4-16,18,27,30H,17H2,1-3H3,(H,31,32)/t27-/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	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356218 (CHEMBL1910476) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N2O7S/c1-16(2)23(24(27)28)25-34(31,32)22-12-8-19(9-13-22)18-6-10-21(11-7-18)33-15-17-4-3-5-20(14-17)26(29)30/h3-14,16,23,25H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM24047 ((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27NO6S/c1-17(2)26(27(29)30)28-35(31,32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)33-16-25-18(3)23-6-4-5-7-24(23)34-25/h4-15,17,26,28H,16H2,1-3H3,(H,29,30)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356219 (CHEMBL1910649) Show SMILES COC(=O)c1cccc(COc2ccc(cc2)-c2ccc(cc2)S(=O)(=O)N[C@H](C(C)C)C(O)=O)c1 |r| Show InChI InChI=1S/C26H27NO7S/c1-17(2)24(25(28)29)27-35(31,32)23-13-9-20(10-14-23)19-7-11-22(12-8-19)34-16-18-5-4-6-21(15-18)26(30)33-3/h4-15,17,24,27H,16H2,1-3H3,(H,28,29)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356214 (CHEMBL1910471) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-12-8-21(9-13-23)20-6-10-22(11-7-20)32-16-19-5-3-4-18(14-19)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/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	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356206 (CHEMBL1910459) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc3ccccc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)26-15-11-23(12-16-26)22-9-13-25(14-10-22)34-18-20-7-8-21-5-3-4-6-24(21)17-20/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/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	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356207 (CHEMBL1910460) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N2O5S/c1-18(2)26(27(30)31)29-35(32,33)23-13-9-20(10-14-23)19-7-11-22(12-8-19)34-17-21-15-16-28-25-6-4-3-5-24(21)25/h3-16,18,26,29H,17H2,1-2H3,(H,30,31)/t26-/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	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356205 (CHEMBL1910458) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)25-16-12-21(13-17-25)20-10-14-24(15-11-20)34-18-23-8-5-7-22-6-3-4-9-26(22)23/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/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	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356215 (CHEMBL1910473) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-21(10-14-23)20-7-11-22(12-8-20)32-16-19-5-3-18(15-26)4-6-19/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356223 (CHEMBL1910651) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Br)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24BrNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356216 (CHEMBL1910474) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-13-7-19(8-14-22)18-5-11-21(12-6-18)34-15-17-3-9-20(10-4-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356225 (CHEMBL1910439) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CO)c1)C(O)=O |r| Show InChI InChI=1S/C18H21NO5S/c1-12(2)17(18(21)22)19-25(23,24)16-8-6-14(7-9-16)15-5-3-4-13(10-15)11-20/h3-10,12,17,19-20H,11H2,1-2H3,(H,21,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356210 (CHEMBL1910467) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23F3N2O5S/c1-15(2)22(23(30)31)29-35(32,33)20-9-5-18(6-10-20)17-3-7-19(8-4-17)34-14-16-11-12-28-21(13-16)24(25,26)27/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50356203 (CHEMBL1910472) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-12-8-19(9-13-22)18-6-10-21(11-7-18)34-15-17-4-3-5-20(14-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-2				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356209 (CHEMBL1910466) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(C)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H26N2O5S/c1-16(2)23(24(27)28)26-32(29,30)22-10-6-20(7-11-22)19-4-8-21(9-5-19)31-15-18-12-13-25-17(3)14-18/h4-14,16,23,26H,15H2,1-3H3,(H,27,28)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356221 (CHEMBL1910647) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(F)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356217 (CHEMBL1910475) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(C)c2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H26F3NO5S/c1-16(2)24(25(31)32)30-36(33,34)23-13-9-19(10-14-23)18-7-11-22(12-8-18)35-17(3)20-5-4-6-21(15-20)26(27,28)29/h4-17,24,30H,1-3H3,(H,31,32)/t17?,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	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM24025 ((2R)-3-methyl-2-[(4-phenylbenzene)sulfonamido]buta...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356246 (CHEMBL1910652) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(O)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H25NO6S/c1-16(2)23(24(27)28)25-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(26)14-17/h3-14,16,23,25-26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24047 ((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27NO6S/c1-17(2)26(27(29)30)28-35(31,32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)33-16-25-18(3)23-6-4-5-7-24(23)34-25/h4-15,17,26,28H,16H2,1-3H3,(H,29,30)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-2				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356246 (CHEMBL1910652) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(O)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H25NO6S/c1-16(2)23(24(27)28)25-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(26)14-17/h3-14,16,23,25-26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356234 (CHEMBL1910448) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(N)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S/c1-11(2)16(17(21)22)20-27(24,25)15-9-5-13(6-10-15)12-3-7-14(8-4-12)26-18(19)23/h3-11,16,20H,1-2H3,(H2,19,23)(H,21,22)/t16-/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	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50356211 (CHEMBL1910468) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(n2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23F3N2O5S/c1-15(2)22(23(30)31)29-35(32,33)20-12-8-17(9-13-20)16-6-10-19(11-7-16)34-14-18-4-3-5-21(28-18)24(25,26)27/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM24031 ((2R)-2-{[4-(4-hydroxyphenyl)benzene]sulfonamido}-3...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C17H19NO5S/c1-11(2)16(17(20)21)18-24(22,23)15-9-5-13(6-10-15)12-3-7-14(19)8-4-12/h3-11,16,18-19H,1-2H3,(H,20,21)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50356211 (CHEMBL1910468) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(n2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23F3N2O5S/c1-15(2)22(23(30)31)29-35(32,33)20-12-8-17(9-13-20)16-6-10-19(11-7-16)34-14-18-4-3-5-21(28-18)24(25,26)27/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aggrecanase-1				Bioorg Med Chem Lett 21: 6800-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23
					More data for this Ligand-Target Pair

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