Compile Data Set for Download or QSAR

Found 125 hits Enz. Inhib. hit(s) with all data for entry = 3281   

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))	BDBM30369 (piperidinyl glycine derivative, 24f) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r| Show InChI InChI=1S/C23H30N2O7S2/c1-4-31-18-7-5-16(6-8-18)19-9-10-20(33-19)34(29,30)24-21(22(26)27)17-11-13-25(14-12-17)23(28)32-15(2)3/h5-10,15,17,21,24H,4,11-14H2,1-3H3,(H,26,27)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.190	-54.9	0.5	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM11863 (4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.280	-54.0	0.300	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM30344 (Cipemastat | Trocade) Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r| Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	-52.4	3.5	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.27	-50.3	1.90	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30345 (BOC-piperidinyl glycine derivative, 9) Show SMILES CN(C)c1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C24H33N3O6S2/c1-24(2,3)33-23(30)27-14-12-17(13-15-27)21(22(28)29)25-35(31,32)20-11-10-19(34-20)16-6-8-18(9-7-16)26(4)5/h6-11,17,21,25H,12-15H2,1-5H3,(H,28,29)/t21-/m1/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	0.300	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30356 (BOC-piperidinyl glycine derivative, 31) Show SMILES CN(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C26H35N3O6S/c1-26(2,3)35-25(32)29-16-14-20(15-17-29)23(24(30)31)27-36(33,34)22-12-8-19(9-13-22)18-6-10-21(11-7-18)28(4)5/h6-13,20,23,27H,14-17H2,1-5H3,(H,30,31)/t23-/m1/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	0.300	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30384 (piperidinyl glycine derivative, 24u) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC1CCOCC1)C(O)=O |r| Show InChI InChI=1S/C25H32N2O8S2/c1-2-34-19-5-3-17(4-6-19)21-7-8-22(36-21)37(31,32)26-23(24(28)29)18-9-13-27(14-10-18)25(30)35-20-11-15-33-16-12-20/h3-8,18,20,23,26H,2,9-16H2,1H3,(H,28,29)/t23-/m1/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	0.400	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30380 (piperidinyl glycine derivative, 24q) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(CC)CC)C(O)=O |r| Show InChI InChI=1S/C25H34N2O7S2/c1-4-19(5-2)34-25(30)27-15-13-18(14-16-27)23(24(28)29)26-36(31,32)22-12-11-21(35-22)17-7-9-20(10-8-17)33-6-3/h7-12,18-19,23,26H,4-6,13-16H2,1-3H3,(H,28,29)/t23-/m1/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	0.400	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30359 (BOC-piperidinyl glycine derivative, 34) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C25H32N2O7S/c1-25(2,3)34-24(30)27-15-13-19(14-16-27)22(23(28)29)26-35(31,32)21-11-7-18(8-12-21)17-5-9-20(33-4)10-6-17/h5-12,19,22,26H,13-16H2,1-4H3,(H,28,29)/t22-/m1/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	0.5	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30360 (BOC-piperidinyl glycine derivative, 35) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C26H34N2O7S/c1-5-34-21-10-6-18(7-11-21)19-8-12-22(13-9-19)36(32,33)27-23(24(29)30)20-14-16-28(17-15-20)25(31)35-26(2,3)4/h6-13,20,23,27H,5,14-17H2,1-4H3,(H,29,30)/t23-/m1/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	0.5	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30383 (piperidinyl glycine derivative, 24t) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC1CCCC1)C(O)=O |r| Show InChI InChI=1S/C25H32N2O7S2/c1-2-33-19-9-7-17(8-10-19)21-11-12-22(35-21)36(31,32)26-23(24(28)29)18-13-15-27(16-14-18)25(30)34-20-5-3-4-6-20/h7-12,18,20,23,26H,2-6,13-16H2,1H3,(H,28,29)/t23-/m1/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	0.5	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30379 (piperidinyl glycine derivative, 24p) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OCC(C)C)C(O)=O |r| Show InChI InChI=1S/C24H32N2O7S2/c1-4-32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-15-16(2)3/h5-10,16,18,22,25H,4,11-15H2,1-3H3,(H,27,28)/t22-/m1/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	0.600	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30382 (piperidinyl glycine derivative, 24s) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C24H32N2O7S2/c1-5-32-18-8-6-16(7-9-18)19-10-11-20(34-19)35(30,31)25-21(22(27)28)17-12-14-26(15-13-17)23(29)33-24(2,3)4/h6-11,17,21,25H,5,12-15H2,1-4H3,(H,27,28)/t21-/m1/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	0.600	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30367 (piperidinyl glycine derivative, 24d) Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r| Show InChI InChI=1S/C22H28N2O7S2/c1-14(2)31-22(27)24-12-10-16(11-13-24)20(21(25)26)23-33(28,29)19-9-8-18(32-19)15-4-6-17(30-3)7-5-15/h4-9,14,16,20,23H,10-13H2,1-3H3,(H,25,26)/t20-/m1/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	0.600	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30357 (BOC-piperidinyl glycine derivative, 32) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C25H32N2O6S/c1-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34(31,32)26-22(23(28)29)20-13-15-27(16-14-20)24(30)33-25(2,3)4/h5-12,20,22,26H,13-16H2,1-4H3,(H,28,29)/t22-/m1/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	0.700	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30396 (piperidinyl glycine derivative, 27c) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H28N2O7S3/c1-2-34-20-10-8-18(9-11-20)22-12-13-23(35-22)36(30,31)26-24(25(28)29)19-14-16-27(17-15-19)37(32,33)21-6-4-3-5-7-21/h3-13,19,24,26H,2,14-17H2,1H3,(H,28,29)/t24-/m1/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	0.700	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30397 (piperidinyl glycine derivative, 27d) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H30N2O7S3/c1-2-35-22-10-8-20(9-11-22)23-12-13-24(36-23)38(33,34)27-25(26(29)30)21-14-16-28(17-15-21)37(31,32)18-19-6-4-3-5-7-19/h3-13,21,25,27H,2,14-18H2,1H3,(H,29,30)/t25-/m1/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	0.700	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30347 (BOC-piperidinyl glycine derivative, 22a) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C27H37N3O6S2/c1-27(2,3)36-26(33)30-17-13-20(14-18-30)24(25(31)32)28-38(34,35)23-12-11-22(37-23)19-7-9-21(10-8-19)29-15-5-4-6-16-29/h7-12,20,24,28H,4-6,13-18H2,1-3H3,(H,31,32)/t24-/m1/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	0.75	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30370 (piperidinyl glycine derivative, 24g) Show SMILES CCCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r| Show InChI InChI=1S/C24H32N2O7S2/c1-4-15-32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-16(2)3/h5-10,16,18,22,25H,4,11-15H2,1-3H3,(H,27,28)/t22-/m1/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	0.800	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30378 (piperidinyl glycine derivative, 24o) Show SMILES CCCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r| Show InChI InChI=1S/C24H32N2O7S2/c1-3-5-16-33-24(29)26-14-12-18(13-15-26)22(23(27)28)25-35(30,31)21-11-10-20(34-21)17-6-8-19(9-7-17)32-4-2/h6-11,18,22,25H,3-5,12-16H2,1-2H3,(H,27,28)/t22-/m1/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	0.800	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30387 (piperidinyl glycine derivative, 25c) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)C)C(O)=O |r| Show InChI InChI=1S/C23H31N3O6S2/c1-4-32-18-7-5-16(6-8-18)19-9-10-20(33-19)34(30,31)25-21(22(27)28)17-11-13-26(14-12-17)23(29)24-15(2)3/h5-10,15,17,21,25H,4,11-14H2,1-3H3,(H,24,29)(H,27,28)/t21-/m1/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	0.800	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30372 (piperidinyl glycine derivative, 24i) Show SMILES COCCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r| Show InChI InChI=1S/C24H32N2O8S2/c1-16(2)34-24(29)26-12-10-18(11-13-26)22(23(27)28)25-36(30,31)21-9-8-20(35-21)17-4-6-19(7-5-17)33-15-14-32-3/h4-9,16,18,22,25H,10-15H2,1-3H3,(H,27,28)/t22-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30392 (piperidinyl glycine derivative, 26d) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C26H34N2O6S2/c1-2-34-21-10-8-18(9-11-21)22-12-13-23(35-22)36(32,33)27-24(26(30)31)19-14-16-28(17-15-19)25(29)20-6-4-3-5-7-20/h8-13,19-20,24,27H,2-7,14-17H2,1H3,(H,30,31)/t24-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30381 (piperidinyl glycine derivative, 24r) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OCC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C25H34N2O7S2/c1-5-33-19-8-6-17(7-9-19)20-10-11-21(35-20)36(31,32)26-22(23(28)29)18-12-14-27(15-13-18)24(30)34-16-25(2,3)4/h6-11,18,22,26H,5,12-16H2,1-4H3,(H,28,29)/t22-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30377 (piperidinyl glycine derivative, 24n) Show SMILES CCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30N2O7S2/c1-3-15-32-23(28)25-13-11-17(12-14-25)21(22(26)27)24-34(29,30)20-10-9-19(33-20)16-5-7-18(8-6-16)31-4-2/h5-10,17,21,24H,3-4,11-15H2,1-2H3,(H,26,27)/t21-/m1/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	1	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30395 (piperidinyl glycine derivative, 27b) Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H26N2O7S3/c1-33-19-9-7-17(8-10-19)21-11-12-22(34-21)35(29,30)25-23(24(27)28)18-13-15-26(16-14-18)36(31,32)20-5-3-2-4-6-20/h2-12,18,23,25H,13-16H2,1H3,(H,27,28)/t23-/m1/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	1.20	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30373 (piperidinyl glycine derivative, 24j) Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(C)cc1)C(O)=O |r| Show InChI InChI=1S/C22H28N2O6S2/c1-14(2)30-22(27)24-12-10-17(11-13-24)20(21(25)26)23-32(28,29)19-9-8-18(31-19)16-6-4-15(3)5-7-16/h4-9,14,17,20,23H,10-13H2,1-3H3,(H,25,26)/t20-/m1/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	1.30	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30364 (piperidinyl glycine derivative, 24a) Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C26H35N3O6S2/c1-18(2)35-26(32)29-16-12-20(13-17-29)24(25(30)31)27-37(33,34)23-11-10-22(36-23)19-6-8-21(9-7-19)28-14-4-3-5-15-28/h6-11,18,20,24,27H,3-5,12-17H2,1-2H3,(H,30,31)/t24-/m1/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	1.30	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30394 (piperidinyl glycine derivative, 27a) Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(O)=O |r| Show InChI InChI=1S/C25H28N2O7S3/c1-17-3-9-21(10-4-17)37(32,33)27-15-13-19(14-16-27)24(25(28)29)26-36(30,31)23-12-11-22(35-23)18-5-7-20(34-2)8-6-18/h3-12,19,24,26H,13-16H2,1-2H3,(H,28,29)/t24-/m1/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	1.40	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30385 (piperidinyl glycine derivative, 25a) Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C23H31N3O6S2/c1-23(2,3)24-22(29)26-13-11-16(12-14-26)20(21(27)28)25-34(30,31)19-10-9-18(33-19)15-5-7-17(32-4)8-6-15/h5-10,16,20,25H,11-14H2,1-4H3,(H,24,29)(H,27,28)/t20-/m1/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	1.40	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30386 (piperidinyl glycine derivative, 25b) Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)C)C(O)=O |r| Show InChI InChI=1S/C22H29N3O6S2/c1-14(2)23-22(28)25-12-10-16(11-13-25)20(21(26)27)24-33(29,30)19-9-8-18(32-19)15-4-6-17(31-3)7-5-15/h4-9,14,16,20,24H,10-13H2,1-3H3,(H,23,28)(H,26,27)/t20-/m1/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	1.60	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30393 (piperidinyl glycine derivative, 26e) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCOCC1)C(O)=O |r| Show InChI InChI=1S/C25H32N2O7S2/c1-2-34-20-5-3-17(4-6-20)21-7-8-22(35-21)36(31,32)26-23(25(29)30)18-9-13-27(14-10-18)24(28)19-11-15-33-16-12-19/h3-8,18-19,23,26H,2,9-16H2,1H3,(H,29,30)/t23-/m1/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	1.70	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30376 (piperidinyl glycine derivative, 24m) Show SMILES CCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r| Show InChI InChI=1S/C22H28N2O7S2/c1-3-30-17-7-5-15(6-8-17)18-9-10-19(32-18)33(28,29)23-20(21(25)26)16-11-13-24(14-12-16)22(27)31-4-2/h5-10,16,20,23H,3-4,11-14H2,1-2H3,(H,25,26)/t20-/m1/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	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11863 (4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30368 (piperidinyl glycine derivative, 24e) Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C22H25F3N2O7S2/c1-13(2)33-21(30)27-11-9-15(10-12-27)19(20(28)29)26-36(31,32)18-8-7-17(35-18)14-3-5-16(6-4-14)34-22(23,24)25/h3-8,13,15,19,26H,9-12H2,1-2H3,(H,28,29)/t19-/m1/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	2.20	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM30344 (Cipemastat | Trocade) Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r| Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30358 (BOC-piperidinyl glycine derivative, 33) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C24H29FN2O6S/c1-24(2,3)33-23(30)27-14-12-18(13-15-27)21(22(28)29)26-34(31,32)20-10-6-17(7-11-20)16-4-8-19(25)9-5-16/h4-11,18,21,26H,12-15H2,1-3H3,(H,28,29)/t21-/m1/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	2.40	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM30344 (Cipemastat | Trocade) Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r| Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30388 (piperidinyl glycine derivative, 25d) Show SMILES CCN(CC)C(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC)cc1)C(O)=O |r| Show InChI InChI=1S/C23H31N3O6S2/c1-4-25(5-2)23(29)26-14-12-17(13-15-26)21(22(27)28)24-34(30,31)20-11-10-19(33-20)16-6-8-18(32-3)9-7-16/h6-11,17,21,24H,4-5,12-15H2,1-3H3,(H,27,28)/t21-/m1/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	2.80	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30366 (piperidinyl glycine derivative, 24c) Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C21H26N2O7S2/c1-13(2)30-21(27)23-11-9-15(10-12-23)19(20(25)26)22-32(28,29)18-8-7-17(31-18)14-3-5-16(24)6-4-14/h3-8,13,15,19,22,24H,9-12H2,1-2H3,(H,25,26)/t19-/m1/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	3.30	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30375 (piperidinyl glycine derivative, 24l) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC)C(O)=O |r| Show InChI InChI=1S/C21H26N2O7S2/c1-3-30-16-6-4-14(5-7-16)17-8-9-18(31-17)32(27,28)22-19(20(24)25)15-10-12-23(13-11-15)21(26)29-2/h4-9,15,19,22H,3,10-13H2,1-2H3,(H,24,25)/t19-/m1/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	3.5	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30391 (piperidinyl glycine derivative, 26c) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)CC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C25H34N2O6S2/c1-5-33-19-8-6-17(7-9-19)20-10-11-22(34-20)35(31,32)26-23(24(29)30)18-12-14-27(15-13-18)21(28)16-25(2,3)4/h6-11,18,23,26H,5,12-16H2,1-4H3,(H,29,30)/t23-/m1/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	3.60	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30374 (piperidinyl glycine derivative, 24k) Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C22H25F3N2O6S2/c1-13(2)33-21(30)27-11-9-15(10-12-27)19(20(28)29)26-35(31,32)18-8-7-17(34-18)14-3-5-16(6-4-14)22(23,24)25/h3-8,13,15,19,26H,9-12H2,1-2H3,(H,28,29)/t19-/m1/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	3.90	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30399 (piperidinyl glycine derivative, 27f) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r| Show InChI InChI=1S/C23H32N2O7S3/c1-3-5-16-34(28,29)25-14-12-18(13-15-25)22(23(26)27)24-35(30,31)21-11-10-20(33-21)17-6-8-19(9-7-17)32-4-2/h6-11,18,22,24H,3-5,12-16H2,1-2H3,(H,26,27)/t22-/m1/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	4	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30371 (piperidinyl glycine derivative, 24h) Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C24H32N2O7S2/c1-15(2)32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-16(3)4/h5-10,15-16,18,22,25H,11-14H2,1-4H3,(H,27,28)/t22-/m1/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	4	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30400 (piperidinyl glycine derivative, 27g) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)C(C)C)C(O)=O |r| Show InChI InChI=1S/C22H30N2O7S3/c1-4-31-18-7-5-16(6-8-18)19-9-10-20(32-19)33(27,28)23-21(22(25)26)17-11-13-24(14-12-17)34(29,30)15(2)3/h5-10,15,17,21,23H,4,11-14H2,1-3H3,(H,25,26)/t21-/m1/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	4.70	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30398 (piperidinyl glycine derivative, 27e) Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)CC(C)C)C(O)=O |r| Show InChI InChI=1S/C23H32N2O7S3/c1-4-32-19-7-5-17(6-8-19)20-9-10-21(33-20)35(30,31)24-22(23(26)27)18-11-13-25(14-12-18)34(28,29)15-16(2)3/h5-10,16,18,22,24H,4,11-15H2,1-3H3,(H,26,27)/t22-/m1/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	5.5	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30348 (BOC-piperidinyl glycine derivative, 22b) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H28N2O6S2/c1-22(2,3)30-21(27)24-13-11-16(12-14-24)19(20(25)26)23-32(28,29)18-10-9-17(31-18)15-7-5-4-6-8-15/h4-10,16,19,23H,11-14H2,1-3H3,(H,25,26)/t19-/m1/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	6.80	n/a	n/a	n/a	n/a	7.5	22
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30401 (piperidinyl glycine derivative, 27h) Show SMILES CCCS(=O)(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r| Show InChI InChI=1S/C22H30N2O7S3/c1-3-15-33(27,28)24-13-11-17(12-14-24)21(22(25)26)23-34(29,30)20-10-9-19(32-20)16-5-7-18(8-6-16)31-4-2/h5-10,17,21,23H,3-4,11-15H2,1-2H3,(H,25,26)/t21-/m1/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	6.90	n/a	n/a	n/a	n/a	n/a	25
Novartis					Assay Description Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...				J Med Chem 52: 3523-38 (2009) Article DOI: 10.1021/jm801394m BindingDB Entry DOI: 10.7270/Q2B27SN3
					More data for this Ligand-Target Pair

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