Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'keenan' and Initial = 'ls'   

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))	BDBM50325338 ((S)-N-(3-(5-(2-(methylamino)-2-oxo-1-(tetrahydro-2...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C27H27F3N4O5/c1-31-26(37)23(17-10-12-38-13-11-17)34-25(36)21-9-8-20(39-21)18-5-2-4-16(14-18)15-32-24(35)19-6-3-7-22(33-19)27(28,29)30/h2-9,14,17,23H,10-13,15H2,1H3,(H,31,37)(H,32,35)(H,34,36)/t23-/m0/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32416 (furan-2-carboxamide deriv., 28) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc(C)n[nH]2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C24H29N5O4/c1-15-12-17(29-28-15)14-32-18-8-9-19(26-13-18)20-10-11-21(33-20)23(30)27-22(24(31)25-2)16-6-4-3-5-7-16/h8-13,16,22H,3-7,14H2,1-2H3,(H,25,31)(H,27,30)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325334 ((S)-N-(3-(5-(2-(methylamino)-2-oxo-1-(tetrahydro-2...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C26H26F3N5O5/c1-30-24(37)21(16-8-11-38-12-9-16)34-23(36)20-6-5-19(39-20)17-4-2-3-15(13-17)14-32-22(35)18-7-10-31-25(33-18)26(27,28)29/h2-7,10,13,16,21H,8-9,11-12,14H2,1H3,(H,30,37)(H,32,35)(H,34,36)/t21-/m0/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325342 ((R)-2-chloro-N-(3-(5-(1-cyclohexyl-2-(methylamino)...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(Cl)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H28ClN5O4/c1-28-25(35)22(17-7-3-2-4-8-17)32-24(34)21-11-10-20(36-21)18-9-5-6-16(14-18)15-30-23(33)19-12-13-29-26(27)31-19/h5-6,9-14,17,22H,2-4,7-8,15H2,1H3,(H,28,35)(H,30,33)(H,32,34)/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32417 (furan-2-carboxamide deriv., 29) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc(C)n(C)n2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C25H31N5O4/c1-16-13-18(29-30(16)3)15-33-19-9-10-20(27-14-19)21-11-12-22(34-21)24(31)28-23(25(32)26-2)17-7-5-4-6-8-17/h9-14,17,23H,4-8,15H2,1-3H3,(H,26,32)(H,28,31)/t23-/m0/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	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325347 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(C)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C28H32N4O4/c1-18-8-6-13-22(31-18)26(33)30-17-19-9-7-12-21(16-19)23-14-15-24(36-23)27(34)32-25(28(35)29-2)20-10-4-3-5-11-20/h6-9,12-16,20,25H,3-5,10-11,17H2,1-2H3,(H,29,35)(H,30,33)(H,32,34)/t25-/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	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325333 ((S)-N-(3-(5-(3-hydroxy-3-methyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C(C)(C)O |r| Show InChI InChI=1S/C24H24F3N5O5/c1-23(2,36)18(21(35)28-3)32-20(34)17-8-7-16(37-17)14-6-4-5-13(11-14)12-30-19(33)15-9-10-29-22(31-15)24(25,26)27/h4-11,18,36H,12H2,1-3H3,(H,28,35)(H,30,33)(H,32,34)/t18-/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	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325340 ((S)-N-(3-(5-(3-methyl-1-(methylamino)-1-oxobutan-2...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C(C)C |r| Show InChI InChI=1S/C25H25F3N4O4/c1-14(2)21(24(35)29-3)32-23(34)19-11-10-18(36-19)16-7-4-6-15(12-16)13-30-22(33)17-8-5-9-20(31-17)25(26,27)28/h4-12,14,21H,13H2,1-3H3,(H,29,35)(H,30,33)(H,32,34)/t21-/m0/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32412 (furan-2-carboxamide deriv., 24) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc3ccccc3o2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C28H29N3O5/c1-29-28(33)26(18-7-3-2-4-8-18)31-27(32)25-14-13-24(36-25)22-12-11-20(16-30-22)34-17-21-15-19-9-5-6-10-23(19)35-21/h5-6,9-16,18,26H,2-4,7-8,17H2,1H3,(H,29,33)(H,31,32)/t26-/m0/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	6	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32414 (furan-2-carboxamide deriv., 26) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2ccn[nH]2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C23H27N5O4/c1-24-23(30)21(15-5-3-2-4-6-15)27-22(29)20-10-9-19(32-20)18-8-7-17(13-25-18)31-14-16-11-12-26-28-16/h7-13,15,21H,2-6,14H2,1H3,(H,24,30)(H,26,28)(H,27,29)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325341 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H28F3N5O4/c1-31-25(38)22(17-7-3-2-4-8-17)35-24(37)21-11-10-20(39-21)18-9-5-6-16(14-18)15-33-23(36)19-12-13-32-26(34-19)27(28,29)30/h5-6,9-14,17,22H,2-4,7-8,15H2,1H3,(H,31,38)(H,33,36)(H,35,37)/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325351 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccccn2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H30N4O4/c1-28-27(34)24(19-9-3-2-4-10-19)31-26(33)23-14-13-22(35-23)20-11-7-8-18(16-20)17-30-25(32)21-12-5-6-15-29-21/h5-8,11-16,19,24H,2-4,9-10,17H2,1H3,(H,28,34)(H,30,32)(H,31,33)/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325352 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2csc(C)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H30N4O4S/c1-16-29-20(15-35-16)24(31)28-14-17-7-6-10-19(13-17)21-11-12-22(34-21)25(32)30-23(26(33)27-2)18-8-4-3-5-9-18/h6-7,10-13,15,18,23H,3-5,8-9,14H2,1-2H3,(H,27,33)(H,28,31)(H,30,32)/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325336 ((S)-N-(3-(5-(3-methyl-1-(methylamino)-1-oxobutan-2...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C(C)C |r| Show InChI InChI=1S/C24H24F3N5O4/c1-13(2)19(22(35)28-3)32-21(34)18-8-7-17(36-18)15-6-4-5-14(11-15)12-30-20(33)16-9-10-29-23(31-16)24(25,26)27/h4-11,13,19H,12H2,1-3H3,(H,28,35)(H,30,33)(H,32,34)/t19-/m0/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325346 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C28H29F3N4O4/c1-32-27(38)24(18-8-3-2-4-9-18)35-26(37)22-14-13-21(39-22)19-10-5-7-17(15-19)16-33-25(36)20-11-6-12-23(34-20)28(29,30)31/h5-7,10-15,18,24H,2-4,8-9,16H2,1H3,(H,32,38)(H,33,36)(H,35,37)/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325348 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccncn2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H29N5O4/c1-27-26(34)23(18-7-3-2-4-8-18)31-25(33)22-11-10-21(35-22)19-9-5-6-17(14-19)15-29-24(32)20-12-13-28-16-30-20/h5-6,9-14,16,18,23H,2-4,7-8,15H2,1H3,(H,27,34)(H,29,32)(H,31,33)/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325359 ((R)-N-(1-cyclohexyl-2-(methylamino)-2-oxoethyl)-5-...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccc(C)o2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H31N3O5/c1-17-11-12-22(34-17)25(31)29-16-18-7-6-10-20(15-18)21-13-14-23(35-21)26(32)30-24(27(33)28-2)19-8-4-3-5-9-19/h6-7,10-15,19,24H,3-5,8-9,16H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32402 (furan-2-carboxamide deriv., 10) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cccc(C)n2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C27H30N4O4/c1-17-7-6-10-21(29-17)25(32)30-20-13-11-18(12-14-20)22-15-16-23(35-22)26(33)31-24(27(34)28-2)19-8-4-3-5-9-19/h6-7,10-16,19,24H,3-5,8-9H2,1-2H3,(H,28,34)(H,30,32)(H,31,33)/t24-/m0/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	17	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325355 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccn(C)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H31N5O4/c1-27-26(34)23(18-8-4-3-5-9-18)29-25(33)22-12-11-21(35-22)19-10-6-7-17(15-19)16-28-24(32)20-13-14-31(2)30-20/h6-7,10-15,18,23H,3-5,8-9,16H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325337 ((S)-N-(3-(5-(3-hydroxy-3-methyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C(C)(C)O |r| Show InChI InChI=1S/C25H25F3N4O5/c1-24(2,36)20(23(35)29-3)32-22(34)18-11-10-17(37-18)15-7-4-6-14(12-15)13-30-21(33)16-8-5-9-19(31-16)25(26,27)28/h4-12,20,36H,13H2,1-3H3,(H,29,35)(H,30,33)(H,32,34)/t20-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32415 (furan-2-carboxamide deriv., 27) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2ccn(C)n2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C24H29N5O4/c1-25-24(31)22(16-6-4-3-5-7-16)27-23(30)21-11-10-20(33-21)19-9-8-18(14-26-19)32-15-17-12-13-29(2)28-17/h8-14,16,22H,3-7,15H2,1-2H3,(H,25,31)(H,27,30)/t22-/m0/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	25	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325343 ((R)-2-chloro-N-(3-(5-(1-cyclohexyl-2-(methylamino)...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(Cl)c2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H29ClN4O4/c1-29-27(35)24(18-7-3-2-4-8-18)32-26(34)22-11-10-21(36-22)19-9-5-6-17(14-19)16-31-25(33)20-12-13-30-23(28)15-20/h5-6,9-15,18,24H,2-4,7-8,16H2,1H3,(H,29,35)(H,31,33)(H,32,34)/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	27	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325339 ((S)-N-(3-(5-(1-cyclopropyl-2-(methylamino)-2-oxoet...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C1CC1 |r| Show InChI InChI=1S/C25H23F3N4O4/c1-29-24(35)21(15-8-9-15)32-23(34)19-11-10-18(36-19)16-5-2-4-14(12-16)13-30-22(33)17-6-3-7-20(31-17)25(26,27)28/h2-7,10-12,15,21H,8-9,13H2,1H3,(H,29,35)(H,30,33)(H,32,34)/t21-/m0/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325344 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CCc1cncc(c1)C(=O)NCc1cccc(c1)-c1ccc(o1)C(=O)N[C@H](C1CCCCC1)C(=O)NC |r| Show InChI InChI=1S/C29H34N4O4/c1-3-19-14-23(18-31-16-19)27(34)32-17-20-8-7-11-22(15-20)24-12-13-25(37-24)28(35)33-26(29(36)30-2)21-9-5-4-6-10-21/h7-8,11-16,18,21,26H,3-6,9-10,17H2,1-2H3,(H,30,36)(H,32,34)(H,33,35)/t26-/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	29	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325349 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccncc2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H30N4O4/c1-28-27(34)24(19-7-3-2-4-8-19)31-26(33)23-11-10-22(35-23)21-9-5-6-18(16-21)17-30-25(32)20-12-14-29-15-13-20/h5-6,9-16,19,24H,2-4,7-8,17H2,1H3,(H,28,34)(H,30,32)(H,31,33)/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	31	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32399 (furan-2-carboxamide deriv., 7) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2ccn(C)n2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C25H29N5O4/c1-26-25(33)22(17-6-4-3-5-7-17)28-24(32)21-13-12-20(34-21)16-8-10-18(11-9-16)27-23(31)19-14-15-30(2)29-19/h8-15,17,22H,3-7H2,1-2H3,(H,26,33)(H,27,31)(H,28,32)/t22-/m0/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	31	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32411 (furan-2-carboxamide deriv., 20) Show SMILES CCOc1ccc(nc1)-c1ccc(o1)C(=O)N[C@@H](C1CCCCC1)C(=O)NC |r| Show InChI InChI=1S/C21H27N3O4/c1-3-27-15-9-10-16(23-13-15)17-11-12-18(28-17)20(25)24-19(21(26)22-2)14-7-5-4-6-8-14/h9-14,19H,3-8H2,1-2H3,(H,22,26)(H,24,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325335 ((S)-N-(3-(5-(1-cyclopropyl-2-(methylamino)-2-oxoet...) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccnc(n2)C(F)(F)F)c1)C1CC1 |r| Show InChI InChI=1S/C24H22F3N5O4/c1-28-22(35)19(14-5-6-14)32-21(34)18-8-7-17(36-18)15-4-2-3-13(11-15)12-30-20(33)16-9-10-29-23(31-16)24(25,26)27/h2-4,7-11,14,19H,5-6,12H2,1H3,(H,28,35)(H,30,33)(H,32,34)/t19-/m0/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	36	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32413 (furan-2-carboxamide deriv., 25) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cccc(C)n2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C26H30N4O4/c1-17-7-6-10-19(29-17)16-33-20-11-12-21(28-15-20)22-13-14-23(34-22)25(31)30-24(26(32)27-2)18-8-4-3-5-9-18/h6-7,10-15,18,24H,3-5,8-9,16H2,1-2H3,(H,27,32)(H,30,31)/t24-/m0/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	40	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325350 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccnc2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H30N4O4/c1-28-27(34)24(19-8-3-2-4-9-19)31-26(33)23-13-12-22(35-23)20-10-5-7-18(15-20)16-30-25(32)21-11-6-14-29-17-21/h5-7,10-15,17,19,24H,2-4,8-9,16H2,1H3,(H,28,34)(H,30,32)(H,31,33)/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	42	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32398 (furan-2-carboxamide deriv., 6) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2ccc(C)o2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C26H29N3O5/c1-16-8-13-21(33-16)24(30)28-19-11-9-17(10-12-19)20-14-15-22(34-20)25(31)29-23(26(32)27-2)18-6-4-3-5-7-18/h8-15,18,23H,3-7H2,1-2H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m0/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	57	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32397 (furan-2-carboxamide deriv., 5) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc(C)c(C)o2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C27H31N3O5/c1-16-15-23(34-17(16)2)26(32)29-20-11-9-18(10-12-20)21-13-14-22(35-21)25(31)30-24(27(33)28-3)19-7-5-4-6-8-19/h9-15,19,24H,4-8H2,1-3H3,(H,28,33)(H,29,32)(H,30,31)/t24-/m0/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	63	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325354 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cc(C)n(C)n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H33N5O4/c1-17-14-21(31-32(17)3)25(33)29-16-18-8-7-11-20(15-18)22-12-13-23(36-22)26(34)30-24(27(35)28-2)19-9-5-4-6-10-19/h7-8,11-15,19,24H,4-6,9-10,16H2,1-3H3,(H,28,35)(H,29,33)(H,30,34)/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	72	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325360 ((R)-N-(1-cyclohexyl-2-(methylamino)-2-oxoethyl)-5-...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccco2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H29N3O5/c1-27-26(32)23(18-8-3-2-4-9-18)29-25(31)22-13-12-20(34-22)19-10-5-7-17(15-19)16-28-24(30)21-11-6-14-33-21/h5-7,10-15,18,23H,2-4,8-9,16H2,1H3,(H,27,32)(H,28,30)(H,29,31)/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	75	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32401 (furan-2-carboxamide deriv., 9) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc(C)n[nH]2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C25H29N5O4/c1-15-14-19(30-29-15)23(31)27-18-10-8-16(9-11-18)20-12-13-21(34-20)24(32)28-22(25(33)26-2)17-6-4-3-5-7-17/h8-14,17,22H,3-7H2,1-2H3,(H,26,33)(H,27,31)(H,28,32)(H,29,30)/t22-/m0/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	88	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325345 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ncccc2C)c1)C1CCCCC1 |r| Show InChI InChI=1S/C28H32N4O4/c1-18-8-7-15-30-24(18)28(35)31-17-19-9-6-12-21(16-19)22-13-14-23(36-22)26(33)32-25(27(34)29-2)20-10-4-3-5-11-20/h6-9,12-16,20,25H,3-5,10-11,17H2,1-2H3,(H,29,34)(H,31,35)(H,32,33)/t25-/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325364 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cn3ccccc3n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C29H31N5O4/c1-30-29(37)26(20-9-3-2-4-10-20)33-28(36)24-14-13-23(38-24)21-11-7-8-19(16-21)17-31-27(35)22-18-34-15-6-5-12-25(34)32-22/h5-8,11-16,18,20,26H,2-4,9-10,17H2,1H3,(H,30,37)(H,31,35)(H,33,36)/t26-/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325362 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cn3cccc(C)c3n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C30H33N5O4/c1-19-8-7-15-35-18-23(33-27(19)35)28(36)32-17-20-9-6-12-22(16-20)24-13-14-25(39-24)29(37)34-26(30(38)31-2)21-10-4-3-5-11-21/h6-9,12-16,18,21,26H,3-5,10-11,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37)/t26-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325353 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cnn(C)c2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H31N5O4/c1-27-26(34)23(18-8-4-3-5-9-18)30-25(33)22-12-11-21(35-22)19-10-6-7-17(13-19)14-28-24(32)20-15-29-31(2)16-20/h6-7,10-13,15-16,18,23H,3-5,8-9,14H2,1-2H3,(H,27,34)(H,28,32)(H,30,33)/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325361 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cn3ccc(C)cc3n2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C30H33N5O4/c1-19-13-14-35-18-23(33-26(35)15-19)28(36)32-17-20-7-6-10-22(16-20)24-11-12-25(39-24)29(37)34-27(30(38)31-2)21-8-4-3-5-9-21/h6-7,10-16,18,21,27H,3-5,8-9,17H2,1-2H3,(H,31,38)(H,32,36)(H,34,37)/t27-/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325358 ((R)-N-(1-cyclohexyl-2-(methylamino)-2-oxoethyl)-5-...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2occc2C)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H31N3O5/c1-17-13-14-34-24(17)27(33)29-16-18-7-6-10-20(15-18)21-11-12-22(35-21)25(31)30-23(26(32)28-2)19-8-4-3-5-9-19/h6-7,10-15,19,23H,3-5,8-9,16H2,1-2H3,(H,28,32)(H,29,33)(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	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32400 (furan-2-carboxamide deriv., 8) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cnn(C)c2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C25H29N5O4/c1-26-25(33)22(17-6-4-3-5-7-17)29-24(32)21-13-12-20(34-21)16-8-10-19(11-9-16)28-23(31)18-14-27-30(2)15-18/h8-15,17,22H,3-7H2,1-2H3,(H,26,33)(H,28,31)(H,29,32)/t22-/m0/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	180	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32410 (furan-2-carboxamide deriv., 19) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OC)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C21H26N2O4/c1-22-21(25)19(15-6-4-3-5-7-15)23-20(24)18-13-12-17(27-18)14-8-10-16(26-2)11-9-14/h8-13,15,19H,3-7H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/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	220	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32403 (furan-2-carboxamide deriv., 12) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C19H22ClN3O3/c1-21-19(25)17(12-5-3-2-4-6-12)23-18(24)16-10-9-15(26-16)14-8-7-13(20)11-22-14/h7-12,17H,2-6H2,1H3,(H,21,25)(H,23,24)/t17-/m0/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	245	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32408 (furan-2-carboxamide deriv., 17) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(C)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C21H26N2O3/c1-14-8-10-15(11-9-14)17-12-13-18(26-17)20(24)23-19(21(25)22-2)16-6-4-3-5-7-16/h8-13,16,19H,3-7H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/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	290	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325356 ((R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoeth...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2nccn2C)c1)C1CCCCC1 |r| Show InChI InChI=1S/C26H31N5O4/c1-27-25(33)22(18-8-4-3-5-9-18)30-24(32)21-12-11-20(35-21)19-10-6-7-17(15-19)16-29-26(34)23-28-13-14-31(23)2/h6-7,10-15,18,22H,3-5,8-9,16H2,1-2H3,(H,27,33)(H,29,34)(H,30,32)/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	310	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50325357 ((R)-N-(1-cyclohexyl-2-(methylamino)-2-oxoethyl)-5-...) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2ccoc2C)c1)C1CCCCC1 |r| Show InChI InChI=1S/C27H31N3O5/c1-17-21(13-14-34-17)25(31)29-16-18-7-6-10-20(15-18)22-11-12-23(35-22)26(32)30-24(27(33)28-2)19-8-4-3-5-9-19/h6-7,10-15,19,24H,3-5,8-9,16H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)/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	330	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 20: 5039-43 (2010) Article DOI: 10.1016/j.bmcl.2010.07.036 BindingDB Entry DOI: 10.7270/Q28S4Q3K
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32395 (furan-2-carboxamide deriv., 1) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C20H23ClN2O3/c1-22-20(25)18(14-5-3-2-4-6-14)23-19(24)17-12-11-16(26-17)13-7-9-15(21)10-8-13/h7-12,14,18H,2-6H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM32406 (furan-2-carboxamide deriv., 15) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NS(C)(=O)=O)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C21H27N3O5S/c1-22-21(26)19(15-6-4-3-5-7-15)23-20(25)18-13-12-17(29-18)14-8-10-16(11-9-14)24-30(2,27)28/h8-13,15,19,24H,3-7H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32407 (furan-2-carboxamide deriv., 16) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(cc1)S(=O)(=O)NC)C1CCCCC1 |r| Show InChI InChI=1S/C21H27N3O5S/c1-22-21(26)19(15-6-4-3-5-7-15)24-20(25)18-13-12-17(29-18)14-8-10-16(11-9-14)30(27,28)23-2/h8-13,15,19,23H,3-7H2,1-2H3,(H,22,26)(H,24,25)/t19-/m0/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	480	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 55 total )  |  Next  |  Last  >>

Jump to: