Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'taylor' and Initial = 'ab'   

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))	BDBM50239956 (CHEMBL4061792) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					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	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239957 (CHEMBL4089861) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H21N3O5S2/c26-20(27)12-23-32(29,30)17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-31-22-24-19-3-1-2-18(19)21(28)25-22/h4-11,23H,1-3,12-13H2,(H,26,27)(H,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239961 (CHEMBL4062836) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50239951 (CHEMBL4100008) Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239952 (CHEMBL4081997) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50239957 (CHEMBL4089861) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H21N3O5S2/c26-20(27)12-23-32(29,30)17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-31-22-24-19-3-1-2-18(19)21(28)25-22/h4-11,23H,1-3,12-13H2,(H,26,27)(H,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239961 (CHEMBL4062836) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239952 (CHEMBL4081997) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239956 (CHEMBL4061792) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H27N3O5S2/c1-15(2)22(24(30)31)28-35(32,33)19-12-10-18(11-13-19)17-8-6-16(7-9-17)14-34-25-26-21-5-3-4-20(21)23(29)27-25/h6-13,15,22,28H,3-5,14H2,1-2H3,(H,30,31)(H,26,27,29)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of MMP13 (unknown origin)-mediated type-2 collagen cleavage assessed as increase in intact collagen after 24 hrs by SDS-PAGE analysis				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					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	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis)				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239952 (CHEMBL4081997) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of leucine aminopeptidase; Ki value reporting the slope effect(Kis)				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50239959 (CHEMBL4069824) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(C)C |r| Show InChI InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50239951 (CHEMBL4100008) Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H23N3O4S2/c26-13-12-23-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-24-20-3-1-2-19(20)21(27)25-22/h4-11,23,26H,1-3,12-14H2,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50239958 (CHEMBL4105299) Show SMILES N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r| Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239953 (CHEMBL4081049) Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r| Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM16596 (4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)	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	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM16596 (4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)	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	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239949 (CHEMBL4098541) 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-/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	257	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I (Homo sapiens (Human))	BDBM50392769 (CHEMBL2151147) Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)-c1nccnc1C)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C22H21F3N4O2/c1-14(19-8-7-18(12-28-19)31-13-22(23,24)25)29-20(30)11-16-3-5-17(6-4-16)21-15(2)26-9-10-27-21/h3-10,12,14H,11,13H2,1-2H3,(H,29,30)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at Cav3.3 at -80 mV holding potential by whole cell patch clamp analysis				ACS Med Chem Lett 1: 504-509 (2010) Article DOI: 10.1021/ml100170e BindingDB Entry DOI: 10.7270/Q2QZ2C20
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50239960 (CHEMBL4090820) Show SMILES CNC(=O)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(C)C |r| Show InChI InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50239952 (CHEMBL4081997) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	467	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP12 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assay				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50239952 (CHEMBL4081997) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50239952 (CHEMBL4081997) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Macrophage metalloelastase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP12 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assay				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361640 (CHEMBL1515648) Show SMILES COC(=O)c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H16N2O3S/c1-21-15(20)11-7-5-10(6-8-11)9-22-16-17-13-4-2-3-12(13)14(19)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using tacrin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using midazolam substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using dextromethophan substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using diclofenac substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin) using amodiaquine substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin) using bupropion substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50239953 (CHEMBL4081049) Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r| Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361640 (CHEMBL1515648) Show SMILES COC(=O)c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H16N2O3S/c1-21-15(20)11-7-5-10(6-8-11)9-22-16-17-13-4-2-3-12(13)14(19)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50239949 (CHEMBL4098541) 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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50239953 (CHEMBL4081049) Show SMILES N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |r| Show InChI InChI=1S/C26H30N4O3S2/c27-22-5-1-2-6-24(22)30-35(32,33)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-34-26-28-23-7-3-4-21(23)25(31)29-26/h8-15,22,24,30H,1-7,16,27H2,(H,28,29,31)/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Scripps Florida , 130 Scripps Way, Jupiter, Florida 33458, United States. Curated by ChEMBL					Assay Description Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...				J Med Chem 60: 5816-5825 (2017) Article DOI: 10.1021/acs.jmedchem.7b00514 BindingDB Entry DOI: 10.7270/Q23F4RTD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using tacrin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair

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