Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50030219   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292694 ((1R,2S)-1-(3-fluoro-4-((2-(pyridin-3-yl)quinolin-4...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3cccnc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C27H23FN4O4/c28-21-10-16(12-27(26(29)34)13-20(27)25(33)32-35)7-8-24(21)36-15-18-11-23(17-4-3-9-30-14-17)31-22-6-2-1-5-19(18)22/h1-11,14,20,35H,12-13,15H2,(H2,29,34)(H,32,33)/t20-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM26524 ((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292693 ((1R,2S)-1-(3-fluoro-4-((2-(1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1ccc(n1)-c1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2F)c2ccccc2n1 |r| Show InChI InChI=1S/C26H24FN5O4/c1-32-9-8-21(30-32)22-11-16(17-4-2-3-5-20(17)29-22)14-36-23-7-6-15(10-19(23)27)12-26(25(28)34)13-18(26)24(33)31-35/h2-11,18,35H,12-14H2,1H3,(H2,28,34)(H,31,33)/t18-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292691 ((1R,2S)-1-(3-fluoro-4-((2-(pyrrolidin-1-yl)quinoli...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)N3CCCC3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C26H27FN4O4/c27-20-11-16(13-26(25(28)33)14-19(26)24(32)30-34)7-8-22(20)35-15-17-12-23(31-9-3-4-10-31)29-21-6-2-1-5-18(17)21/h1-2,5-8,11-12,19,34H,3-4,9-10,13-15H2,(H2,28,33)(H,30,32)/t19-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM26525 ((1S,2R)-1-N-hydroxy-2-({4-[(2-phenylquinolin-4-yl)...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292690 ((1R,2S)-1-(3-fluoro-4-((2-morpholinoquinolin-4-yl)...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)N3CCOCC3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C26H27FN4O5/c27-20-11-16(13-26(25(28)33)14-19(26)24(32)30-34)5-6-22(20)36-15-17-12-23(31-7-9-35-10-8-31)29-21-4-2-1-3-18(17)21/h1-6,11-12,19,34H,7-10,13-15H2,(H2,28,33)(H,30,32)/t19-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292688 ((1S,2R)-N-hydroxy-2-((S)-3-hydroxypyrrolidine-1-ca...) Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C(=O)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C32H31N3O5/c36-24-14-15-35(19-24)31(38)32(18-27(32)30(37)34-39)17-21-10-12-25(13-11-21)40-20-23-16-29(22-6-2-1-3-7-22)33-28-9-5-4-8-26(23)28/h1-13,16,24,27,36,39H,14-15,17-20H2,(H,34,37)/t24-,27+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292689 ((1R,2S)-N2-hydroxy-N1,N1-dimethyl-1-(4-((2-phenylq...) Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C30H29N3O4/c1-33(2)29(35)30(18-25(30)28(34)32-36)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,36H,17-19H2,1-2H3,(H,32,34)/t25-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292681 ((1S,2R)-N-hydroxy-2-((S)-2-(hydroxymethyl)pyrrolid...) Show SMILES OC[C@@H]1CCCN1C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C33H33N3O5/c37-20-25-9-6-16-36(25)32(39)33(19-28(33)31(38)35-40)18-22-12-14-26(15-13-22)41-21-24-17-30(23-7-2-1-3-8-23)34-29-11-5-4-10-27(24)29/h1-5,7-8,10-15,17,25,28,37,40H,6,9,16,18-21H2,(H,35,38)/t25-,28+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292682 ((1R,2S)-1-(3-fluoro-4-((2-phenylquinolin-4-yl)meth...) Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292687 ((1S,2R)-2-((R)-3-(dimethylamino)pyrrolidine-1-carb...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C34H36N4O4/c1-37(2)26-16-17-38(21-26)33(40)34(20-29(34)32(39)36-41)19-23-12-14-27(15-13-23)42-22-25-18-31(24-8-4-3-5-9-24)35-30-11-7-6-10-28(25)30/h3-15,18,26,29,41H,16-17,19-22H2,1-2H3,(H,36,39)/t26-,29-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292686 ((1S,2R)-2-((S)-3-(dimethylamino)pyrrolidine-1-carb...) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C34H36N4O4/c1-37(2)26-16-17-38(21-26)33(40)34(20-29(34)32(39)36-41)19-23-12-14-27(15-13-23)42-22-25-18-31(24-8-4-3-5-9-24)35-30-11-7-6-10-28(25)30/h3-15,18,26,29,41H,16-17,19-22H2,1-2H3,(H,36,39)/t26-,29+,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292685 ((1R,2S)-N2-hydroxy-1-(4-((2-phenylquinolin-4-yl)me...) Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C(=O)NCC1CCNCC1 |r| Show InChI InChI=1S/C34H36N4O4/c39-32(38-41)29-20-34(29,33(40)36-21-24-14-16-35-17-15-24)19-23-10-12-27(13-11-23)42-22-26-18-31(25-6-2-1-3-7-25)37-30-9-5-4-8-28(26)30/h1-13,18,24,29,35,41H,14-17,19-22H2,(H,36,40)(H,38,39)/t29-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292692 ((1R,2S)-1-(3-fluoro-4-((2-(methylamino)quinolin-4-...) Show SMILES CNc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2F)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23FN4O4/c1-26-20-9-14(15-4-2-3-5-18(15)27-20)12-32-19-7-6-13(8-17(19)24)10-23(22(25)30)11-16(23)21(29)28-31/h2-9,16,31H,10-12H2,1H3,(H2,25,30)(H,26,27)(H,28,29)/t16-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292695 ((1R,2S)-1-(4-((2-ethylquinolin-4-yl)methoxy)benzyl...) Show SMILES CCc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C24H25N3O4/c1-2-17-11-16(19-5-3-4-6-21(19)26-17)14-31-18-9-7-15(8-10-18)12-24(23(25)29)13-20(24)22(28)27-30/h3-11,20,30H,2,12-14H2,1H3,(H2,25,29)(H,27,28)/t20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292699 ((1R,2S)-ethyl 1-(4-((2-ethylquinolin-4-yl)methoxy)...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(CC)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C26H28N2O5/c1-3-19-13-18(21-7-5-6-8-23(21)27-19)16-33-20-11-9-17(10-12-20)14-26(25(30)32-4-2)15-22(26)24(29)28-31/h5-13,22,31H,3-4,14-16H2,1-2H3,(H,28,29)/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM23487 ((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...) Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292700 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-(trifl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)C(F)(F)F)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H23F3N2O5/c1-2-34-23(32)24(13-19(24)22(31)30-33)12-15-7-9-17(10-8-15)35-14-16-11-21(25(26,27)28)29-20-6-4-3-5-18(16)20/h3-11,19,33H,2,12-14H2,1H3,(H,30,31)/t19-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292680 ((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...) Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r| Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292703 ((1R,2S)-ethyl 1-(3-fluoro-4-((2-methylquinolin-4-y...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H25FN2O5/c1-3-32-24(30)25(13-19(25)23(29)28-31)12-16-8-9-22(20(26)11-16)33-14-17-10-15(2)27-21-7-5-4-6-18(17)21/h4-11,19,31H,3,12-14H2,1-2H3,(H,28,29)/t19-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292684 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-methyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H26N2O5/c1-3-31-24(29)25(14-21(25)23(28)27-30)13-17-8-10-19(11-9-17)32-15-18-12-16(2)26-22-7-5-4-6-20(18)22/h4-12,21,30H,3,13-15H2,1-2H3,(H,27,28)/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292683 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292698 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-isobut...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(CC(C)C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H32N2O5/c1-4-34-27(32)28(16-24(28)26(31)30-33)15-19-9-11-22(12-10-19)35-17-20-14-21(13-18(2)3)29-25-8-6-5-7-23(20)25/h5-12,14,18,24,33H,4,13,15-17H2,1-3H3,(H,30,31)/t24-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292697 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-(pyrid...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3cccnc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C29H27N3O5/c1-2-36-28(34)29(16-24(29)27(33)32-35)15-19-9-11-22(12-10-19)37-18-21-14-26(20-6-5-13-30-17-20)31-25-8-4-3-7-23(21)25/h3-14,17,24,35H,2,15-16,18H2,1H3,(H,32,33)/t24-,29+/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	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292696 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3ccnc(c3)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C26H26N2O5/c1-2-32-25(30)26(16-22(26)24(29)28-31)15-18-8-10-21(11-9-18)33-17-19-12-13-27-23(14-19)20-6-4-3-5-7-20/h3-14,22,31H,2,15-17H2,1H3,(H,28,29)/t22-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292702 ((1R,2S)-ethyl 1-(3-chloro-4-((2-methylquinolin-4-y...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)c(Cl)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H25ClN2O5/c1-3-32-24(30)25(13-19(25)23(29)28-31)12-16-8-9-22(20(26)11-16)33-14-17-10-15(2)27-21-7-5-4-6-18(17)21/h4-11,19,31H,3,12-14H2,1-2H3,(H,28,29)/t19-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50292701 ((1R,2S)-ethyl 1-(3-bromo-4-((2-methylquinolin-4-yl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)c(Br)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H25BrN2O5/c1-3-32-24(30)25(13-19(25)23(29)28-31)12-16-8-9-22(20(26)11-16)33-14-17-10-15(2)27-21-7-5-4-6-18(17)21/h4-11,19,31H,3,12-14H2,1-2H3,(H,28,29)/t19-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	381	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant TACE				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM26524 ((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM23487 ((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...) Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM23487 ((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...) Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM26524 ((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50292684 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-methyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H26N2O5/c1-3-31-24(29)25(14-21(25)23(28)27-30)13-17-8-10-19(11-9-17)32-15-18-12-16(2)26-22-7-5-4-6-20(18)22/h4-12,21,30H,3,13-15H2,1-2H3,(H,27,28)/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.52E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM23487 ((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...) Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50292684 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-methyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H26N2O5/c1-3-31-24(29)25(14-21(25)23(28)27-30)13-17-8-10-19(11-9-17)32-15-18-12-16(2)26-22-7-5-4-6-20(18)22/h4-12,21,30H,3,13-15H2,1-2H3,(H,27,28)/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM26524 ((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.27E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM23487 ((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...) Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM26524 ((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.07E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50292682 ((1R,2S)-1-(3-fluoro-4-((2-phenylquinolin-4-yl)meth...) Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.62E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50292684 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-methyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H26N2O5/c1-3-31-24(29)25(14-21(25)23(28)27-30)13-17-8-10-19(11-9-17)32-15-18-12-16(2)26-22-7-5-4-6-20(18)22/h4-12,21,30H,3,13-15H2,1-2H3,(H,27,28)/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50292683 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50292684 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-methyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H26N2O5/c1-3-31-24(29)25(14-21(25)23(28)27-30)13-17-8-10-19(11-9-17)32-15-18-12-16(2)26-22-7-5-4-6-20(18)22/h4-12,21,30H,3,13-15H2,1-2H3,(H,27,28)/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50292681 ((1S,2R)-N-hydroxy-2-((S)-2-(hydroxymethyl)pyrrolid...) Show SMILES OC[C@@H]1CCCN1C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C33H33N3O5/c37-20-25-9-6-16-36(25)32(39)33(19-28(33)31(38)35-40)18-22-12-14-26(15-13-22)41-21-24-17-30(23-7-2-1-3-8-23)34-29-11-5-4-10-27(24)29/h1-5,7-8,10-15,17,25,28,37,40H,6,9,16,18-21H2,(H,35,38)/t25-,28+,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50292680 ((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...) Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r| Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50292682 ((1R,2S)-1-(3-fluoro-4-((2-phenylquinolin-4-yl)meth...) Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50292680 ((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...) Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r| Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of ADAM10				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50292681 ((1S,2R)-N-hydroxy-2-((S)-2-(hydroxymethyl)pyrrolid...) Show SMILES OC[C@@H]1CCCN1C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C33H33N3O5/c37-20-25-9-6-16-36(25)32(39)33(19-28(33)31(38)35-40)18-22-12-14-26(15-13-22)41-21-24-17-30(23-7-2-1-3-8-23)34-29-11-5-4-10-27(24)29/h1-5,7-8,10-15,17,25,28,37,40H,6,9,16,18-21H2,(H,35,38)/t25-,28+,33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of ADAM10				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50292682 ((1R,2S)-1-(3-fluoro-4-((2-phenylquinolin-4-yl)meth...) Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of ADAM10				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM26524 ((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...) Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of ADAM10				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM23487 ((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...) Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r| Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of ADAM10				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50292683 ((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...) Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of ADAM10				Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX
					More data for this Ligand-Target Pair

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