Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'yong choi' and Initial = 'j'   

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))	BDBM50450306 (CHEMBL4164242) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)N[C@@H]1CCCC[C@H]1O |r| Show InChI InChI=1S/C30H36N4O5S/c1-17(2)26(29(38)31-22-7-3-4-9-23(22)35)33-28(37)25-15-14-24(39-25)19-12-10-18(11-13-19)16-40-30-32-21-8-5-6-20(21)27(36)34-30/h10-15,17,22-23,26,35H,3-9,16H2,1-2H3,(H,31,38)(H,33,37)(H,32,34,36)/t22-,23-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450309 (CHEMBL4172893) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C27H29FN4O5S/c1-29-26(35)23(15-9-11-36-12-10-15)31-25(34)22-8-7-21(37-22)16-5-6-17(19(28)13-16)14-38-27-30-20-4-2-3-18(20)24(33)32-27/h5-8,13,15,23H,2-4,9-12,14H2,1H3,(H,29,35)(H,31,34)(H,30,32,33)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450403 (CHEMBL4169495) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)(C)C |r| Show InChI InChI=1S/C26H29FN4O4S/c1-26(2,3)21(24(34)28-4)30-23(33)20-11-10-19(35-20)14-8-9-15(17(27)12-14)13-36-25-29-18-7-5-6-16(18)22(32)31-25/h8-12,21H,5-7,13H2,1-4H3,(H,28,34)(H,30,33)(H,29,31,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450300 (CHEMBL4172804) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)(C)O |r| Show InChI InChI=1S/C25H27FN4O5S/c1-25(2,34)20(23(33)27-3)29-22(32)19-10-9-18(35-19)13-7-8-14(16(26)11-13)12-36-24-28-17-6-4-5-15(17)21(31)30-24/h7-11,20,34H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450302 (CHEMBL4172563) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3ccc(F)cc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C26H24F2N4O4S/c1-13(2)22(25(35)29-3)31-24(34)21-9-8-20(36-21)14-4-5-15(18(28)10-14)12-37-26-30-19-7-6-16(27)11-17(19)23(33)32-26/h4-11,13,22H,12H2,1-3H3,(H,29,35)(H,31,34)(H,30,32,33)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239954 (CHEMBL4080520) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C25H27FN4O4S/c1-13(2)21(24(33)27-3)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-6-4-5-16(18)22(31)30-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239950 (CHEMBL4088383) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/t24-/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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450308 (CHEMBL4170562) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(=O)NC1COC1 |r| Show InChI InChI=1S/C27H29FN4O5S/c1-14(2)23(26(35)29-17-11-36-12-17)31-25(34)22-9-8-21(37-22)15-6-7-16(19(28)10-15)13-38-27-30-20-5-3-4-18(20)24(33)32-27/h6-10,14,17,23H,3-5,11-13H2,1-2H3,(H,29,35)(H,31,34)(H,30,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450402 (CHEMBL4159255) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(=O)N[C@@H]1CCCC[C@H]1O |r| Show InChI InChI=1S/C30H35FN4O5S/c1-16(2)26(29(39)32-22-7-3-4-9-23(22)36)34-28(38)25-13-12-24(40-25)17-10-11-18(20(31)14-17)15-41-30-33-21-8-5-6-19(21)27(37)35-30/h10-14,16,22-23,26,36H,3-9,15H2,1-2H3,(H,32,39)(H,34,38)(H,33,35,37)/t22-,23-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450419 (CHEMBL4173661) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450293 (CHEMBL4159992) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CNc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C25H28FN5O4/c1-13(2)21(24(34)27-3)30-23(33)20-10-9-19(35-20)14-7-8-15(17(26)11-14)12-28-25-29-18-6-4-5-16(18)22(32)31-25/h7-11,13,21H,4-6,12H2,1-3H3,(H,27,34)(H,30,33)(H2,28,29,31,32)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450305 (CHEMBL4175968) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450418 (CHEMBL4165747) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450291 (CHEMBL4176183) Show SMILES CNC(=O)[C@@H](NC(=O)c1csc(n1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C24H26FN5O3S2/c1-12(2)19(22(33)26-3)29-21(32)18-11-34-23(27-18)13-7-8-14(16(25)9-13)10-35-24-28-17-6-4-5-15(17)20(31)30-24/h7-9,11-12,19H,4-6,10H2,1-3H3,(H,26,33)(H,29,32)(H,28,30,31)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450303 (CHEMBL4177034) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450371 (CHEMBL4165348) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCCO |r| Show InChI InChI=1S/C27H32N4O5S/c1-16(2)23(26(35)28-13-4-14-32)30-25(34)22-12-11-21(36-22)18-9-7-17(8-10-18)15-37-27-29-20-6-3-5-19(20)24(33)31-27/h7-12,16,23,32H,3-6,13-15H2,1-2H3,(H,28,35)(H,30,34)(H,29,31,33)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450400 (CHEMBL4172564) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCCO |r| Show InChI InChI=1S/C27H32N4O5S/c1-16(2)23(26(35)28-13-4-14-32)30-25(34)22-12-11-21(36-22)18-9-7-17(8-10-18)15-37-27-29-20-6-3-5-19(20)24(33)31-27/h7-12,16,23,32H,3-6,13-15H2,1-2H3,(H,28,35)(H,30,34)(H,29,31,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450407 (CHEMBL4164676) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3sccc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C24H23FN4O4S2/c1-12(2)19(22(32)26-3)27-21(31)18-7-6-17(33-18)13-4-5-14(16(25)10-13)11-35-24-28-20(30)15-8-9-34-23(15)29-24/h4-10,12,19H,11H2,1-3H3,(H,26,32)(H,27,31)(H,28,29,30)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450290 (CHEMBL4164905) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CC1 |r| Show InChI InChI=1S/C25H25FN4O4S/c1-27-24(33)21(13-5-6-13)29-23(32)20-10-9-19(34-20)14-7-8-15(17(26)11-14)12-35-25-28-18-4-2-3-16(18)22(31)30-25/h7-11,13,21H,2-6,12H2,1H3,(H,27,33)(H,29,32)(H,28,30,31)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450401 (CHEMBL4161914) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC1CC1 |r| Show InChI InChI=1S/C27H30N4O4S/c1-15(2)23(26(34)28-18-10-11-18)30-25(33)22-13-12-21(35-22)17-8-6-16(7-9-17)14-36-27-29-20-5-3-4-19(20)24(32)31-27/h6-9,12-13,15,18,23H,3-5,10-11,14H2,1-2H3,(H,28,34)(H,30,33)(H,29,31,32)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450294 (CHEMBL4168115) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3ccccc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C26H25FN4O4S/c1-14(2)22(25(34)28-3)30-24(33)21-11-10-20(35-21)15-8-9-16(18(27)12-15)13-36-26-29-19-7-5-4-6-17(19)23(32)31-26/h4-12,14,22H,13H2,1-3H3,(H,28,34)(H,30,33)(H,29,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450298 (CHEMBL4168477) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCN |r| Show InChI InChI=1S/C26H31N5O4S/c1-15(2)22(25(34)28-13-12-27)30-24(33)21-11-10-20(35-21)17-8-6-16(7-9-17)14-36-26-29-19-5-3-4-18(19)23(32)31-26/h6-11,15,22H,3-5,12-14,27H2,1-2H3,(H,28,34)(H,30,33)(H,29,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450410 (CHEMBL4169179) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3scc(C)c3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C25H25FN4O4S2/c1-12(2)20(23(33)27-4)28-21(31)18-8-7-17(34-18)14-5-6-15(16(26)9-14)11-36-25-29-22(32)19-13(3)10-35-24(19)30-25/h5-10,12,20H,11H2,1-4H3,(H,27,33)(H,28,31)(H,29,30,32)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450304 (CHEMBL4169181) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCN |r| Show InChI InChI=1S/C26H31N5O4S/c1-15(2)22(25(34)28-13-12-27)30-24(33)21-11-10-20(35-21)17-8-6-16(7-9-17)14-36-26-29-19-5-3-4-18(19)23(32)31-26/h6-11,15,22H,3-5,12-14,27H2,1-2H3,(H,28,34)(H,30,33)(H,29,31,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450291 (CHEMBL4176183) Show SMILES CNC(=O)[C@@H](NC(=O)c1csc(n1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C24H26FN5O3S2/c1-12(2)19(22(33)26-3)29-21(32)18-11-34-23(27-18)13-7-8-14(16(25)9-13)10-35-24-28-17-6-4-5-15(17)20(31)30-24/h7-9,11-12,19H,4-6,10H2,1-3H3,(H,26,33)(H,29,32)(H,28,30,31)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells assessed as reduction in enzyme-mediated type-2 collagen cleavage afte...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450403 (CHEMBL4169495) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)(C)C |r| Show InChI InChI=1S/C26H29FN4O4S/c1-26(2,3)21(24(34)28-4)30-23(33)20-11-10-19(35-20)14-8-9-15(17(27)12-14)13-36-25-29-18-7-5-6-16(18)22(32)31-25/h8-12,21H,5-7,13H2,1-4H3,(H,28,34)(H,30,33)(H,29,31,32)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450301 (CHEMBL4161070) Show SMILES CNC(=O)[C@@H](NC(=O)c1coc(n1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(C)C |r| Show InChI InChI=1S/C24H27N5O4S/c1-13(2)19(22(32)25-3)28-21(31)18-11-33-23(26-18)15-9-7-14(8-10-15)12-34-24-27-17-6-4-5-16(17)20(30)29-24/h7-11,13,19H,4-6,12H2,1-3H3,(H,25,32)(H,28,31)(H,27,29,30)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450405 (CHEMBL4167912) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CCc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C26H29FN4O4/c1-14(2)23(26(34)28-3)31-25(33)21-11-10-20(35-21)16-8-7-15(18(27)13-16)9-12-22-29-19-6-4-5-17(19)24(32)30-22/h7-8,10-11,13-14,23H,4-6,9,12H2,1-3H3,(H,28,34)(H,31,33)(H,29,30,32)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450307 (CHEMBL4162629) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(=O)NC1CNC1 |r| Show InChI InChI=1S/C27H30FN5O4S/c1-14(2)23(26(36)30-17-11-29-12-17)32-25(35)22-9-8-21(37-22)15-6-7-16(19(28)10-15)13-38-27-31-20-5-3-4-18(20)24(34)33-27/h6-10,14,17,23,29H,3-5,11-13H2,1-2H3,(H,30,36)(H,32,35)(H,31,33,34)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450400 (CHEMBL4172564) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCCO |r| Show InChI InChI=1S/C27H32N4O5S/c1-16(2)23(26(35)28-13-4-14-32)30-25(34)22-12-11-21(36-22)18-9-7-17(8-10-18)15-37-27-29-20-6-3-5-19(20)24(33)31-27/h7-12,16,23,32H,3-6,13-15H2,1-2H3,(H,28,35)(H,30,34)(H,29,31,33)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450371 (CHEMBL4165348) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCCO |r| Show InChI InChI=1S/C27H32N4O5S/c1-16(2)23(26(35)28-13-4-14-32)30-25(34)22-12-11-21(36-22)18-9-7-17(8-10-18)15-37-27-29-20-6-3-5-19(20)24(33)31-27/h7-12,16,23,32H,3-6,13-15H2,1-2H3,(H,28,35)(H,30,34)(H,29,31,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450404 (CHEMBL4175116) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)nc1)C(C)C |r| Show InChI InChI=1S/C24H27N5O4S/c1-13(2)20(23(32)25-3)28-22(31)19-10-9-18(33-19)14-7-8-15(26-11-14)12-34-24-27-17-6-4-5-16(17)21(30)29-24/h7-11,13,20H,4-6,12H2,1-3H3,(H,25,32)(H,28,31)(H,27,29,30)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450419 (CHEMBL4173661) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450310 (CHEMBL4168336) Show SMILES CNC(=O)C1(CCCCC1)NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1 Show InChI InChI=1S/C27H29FN4O4S/c1-29-25(35)27(12-3-2-4-13-27)32-24(34)22-11-10-21(36-22)16-8-9-17(19(28)14-16)15-37-26-30-20-7-5-6-18(20)23(33)31-26/h8-11,14H,2-7,12-13,15H2,1H3,(H,29,35)(H,32,34)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450303 (CHEMBL4177034) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450417 (CHEMBL4160072) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc(C)cc(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C23H25FN4O4S/c1-12(2)20(22(31)25-4)28-21(30)18-8-7-17(32-18)14-5-6-15(16(24)10-14)11-33-23-26-13(3)9-19(29)27-23/h5-10,12,20H,11H2,1-4H3,(H,25,31)(H,28,30)(H,26,27,29)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450305 (CHEMBL4175968) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450309 (CHEMBL4172893) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C27H29FN4O5S/c1-29-26(35)23(15-9-11-36-12-10-15)31-25(34)22-8-7-21(37-22)16-5-6-17(19(28)13-16)14-38-27-30-20-4-2-3-18(20)24(33)32-27/h5-8,13,15,23H,2-4,9-12,14H2,1H3,(H,29,35)(H,31,34)(H,30,32,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50450419 (CHEMBL4173661) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450418 (CHEMBL4165747) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50450403 (CHEMBL4169495) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)(C)C |r| Show InChI InChI=1S/C26H29FN4O4S/c1-26(2,3)21(24(34)28-4)30-23(33)20-11-10-19(35-20)14-8-9-15(17(27)12-14)13-36-25-29-18-7-5-6-16(18)22(32)31-25/h8-12,21H,5-7,13H2,1-4H3,(H,28,34)(H,30,33)(H,29,31,32)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450300 (CHEMBL4172804) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)(C)O |r| Show InChI InChI=1S/C25H27FN4O5S/c1-25(2,34)20(23(33)27-3)29-22(32)19-10-9-18(35-19)13-7-8-14(16(26)11-13)12-36-24-28-17-6-4-5-15(17)21(31)30-24/h7-11,20,34H,4-6,12H2,1-3H3,(H,27,33)(H,29,32)(H,28,30,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50450298 (CHEMBL4168477) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCN |r| Show InChI InChI=1S/C26H31N5O4S/c1-15(2)22(25(34)28-13-12-27)30-24(33)21-11-10-20(35-21)17-8-6-16(7-9-17)14-36-26-29-19-5-3-4-18(19)23(32)31-26/h6-11,15,22H,3-5,12-14,27H2,1-2H3,(H,28,34)(H,30,33)(H,29,31,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450406 (CHEMBL4164482) Show SMILES CNC(=O)[C@@H](NC(=O)c1csc(n1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)nc1)C(C)C |r| Show InChI InChI=1S/C23H26N6O3S2/c1-12(2)18(21(32)24-3)28-20(31)17-11-33-22(26-17)13-7-8-14(25-9-13)10-34-23-27-16-6-4-5-15(16)19(30)29-23/h7-9,11-12,18H,4-6,10H2,1-3H3,(H,24,32)(H,28,31)(H,27,29,30)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50450414 (CHEMBL4162305) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nccc(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C22H23FN4O4S/c1-12(2)19(21(30)24-3)27-20(29)17-7-6-16(31-17)13-4-5-14(15(23)10-13)11-32-22-25-9-8-18(28)26-22/h4-10,12,19H,11H2,1-3H3,(H,24,30)(H,27,29)(H,25,26,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239955 (CHEMBL4060150) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C28H31FN4O4S/c1-30-27(36)24(16-6-3-2-4-7-16)32-26(35)23-13-12-22(37-23)17-10-11-18(20(29)14-17)15-38-28-31-21-9-5-8-19(21)25(34)33-28/h10-14,16,24H,2-9,15H2,1H3,(H,30,36)(H,32,35)(H,31,33,34)/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	159	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50450303 (CHEMBL4177034) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50450371 (CHEMBL4165348) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCCO |r| Show InChI InChI=1S/C27H32N4O5S/c1-16(2)23(26(35)28-13-4-14-32)30-25(34)22-12-11-21(36-22)18-9-7-17(8-10-18)15-37-27-29-20-6-3-5-19(20)24(33)31-27/h7-12,16,23,32H,3-6,13-15H2,1-2H3,(H,28,35)(H,30,34)(H,29,31,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50450400 (CHEMBL4172564) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NCCCO |r| Show InChI InChI=1S/C27H32N4O5S/c1-16(2)23(26(35)28-13-4-14-32)30-25(34)22-12-11-21(36-22)18-9-7-17(8-10-18)15-37-27-29-20-6-3-5-19(20)24(33)31-27/h7-12,16,23,32H,3-6,13-15H2,1-2H3,(H,28,35)(H,30,34)(H,29,31,33)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50450305 (CHEMBL4175968) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)NC[C@H](O)CO |r| Show InChI InChI=1S/C27H32N4O6S/c1-15(2)23(26(36)28-12-18(33)13-32)30-25(35)22-11-10-21(37-22)17-8-6-16(7-9-17)14-38-27-29-20-5-3-4-19(20)24(34)31-27/h6-11,15,18,23,32-33H,3-5,12-14H2,1-2H3,(H,28,36)(H,30,35)(H,29,31,34)/t18-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 241 total )  |  Next  |  Last  >>

Jump to: