Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'smith' and Initial = 'rh'   

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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300479 (3-hydroxy-5-(4-(pyridin-4-yl)phenyl)pentanoic acid...) Show SMILES OC(CCc1ccc(cc1)-c1ccncc1)CC(O)=O Show InChI InChI=1S/C16H17NO3/c18-15(11-16(19)20)6-3-12-1-4-13(5-2-12)14-7-9-17-10-8-14/h1-2,4-5,7-10,15,18H,3,6,11H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300470 (3-hydroxy-5-(4'-(methylthio)biphenyl-4-yl)pentanoi...) Show SMILES CSc1ccc(cc1)-c1ccc(CCC(O)CC(O)=O)cc1 Show InChI InChI=1S/C18H20O3S/c1-22-17-10-7-15(8-11-17)14-5-2-13(3-6-14)4-9-16(19)12-18(20)21/h2-3,5-8,10-11,16,19H,4,9,12H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300471 (5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid...) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(CCC(O)CC(O)=O)cc1 Show InChI InChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300472 (5-(4'-cyanobiphenyl-4-yl)-3-hydroxypentanoic acid ...) Show SMILES OC(CCc1ccc(cc1)-c1ccc(cc1)C#N)CC(O)=O Show InChI InChI=1S/C18H17NO3/c19-12-14-3-8-16(9-4-14)15-6-1-13(2-7-15)5-10-17(20)11-18(21)22/h1-4,6-9,17,20H,5,10-11H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300480 (5-(4-(benzofuran-2-yl)phenyl)-3-hydroxypentanoic a...) Show SMILES OC(CCc1ccc(cc1)-c1cc2ccccc2o1)CC(O)=O Show InChI InChI=1S/C19H18O4/c20-16(12-19(21)22)10-7-13-5-8-14(9-6-13)18-11-15-3-1-2-4-17(15)23-18/h1-6,8-9,11,16,20H,7,10,12H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50300471 (5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid...) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(CCC(O)CC(O)=O)cc1 Show InChI InChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300470 (3-hydroxy-5-(4'-(methylthio)biphenyl-4-yl)pentanoi...) Show SMILES CSc1ccc(cc1)-c1ccc(CCC(O)CC(O)=O)cc1 Show InChI InChI=1S/C18H20O3S/c1-22-17-10-7-15(8-11-17)14-5-2-13(3-6-14)4-9-16(19)12-18(20)21/h2-3,5-8,10-11,16,19H,4,9,12H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300469 (5-(4-(9H-fluoren-2-yl)phenyl)-3-hydroxypentanoic a...) Show SMILES OC(CCc1ccc(cc1)-c1ccc-2c(Cc3ccccc-23)c1)CC(O)=O Show InChI InChI=1S/C24H22O3/c25-21(15-24(26)27)11-7-16-5-8-17(9-6-16)18-10-12-23-20(13-18)14-19-3-1-2-4-22(19)23/h1-6,8-10,12-13,21,25H,7,11,14-15H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300472 (5-(4'-cyanobiphenyl-4-yl)-3-hydroxypentanoic acid ...) Show SMILES OC(CCc1ccc(cc1)-c1ccc(cc1)C#N)CC(O)=O Show InChI InChI=1S/C18H17NO3/c19-12-14-3-8-16(9-4-14)15-6-1-13(2-7-15)5-10-17(20)11-18(21)22/h1-4,6-9,17,20H,5,10-11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300473 (2-(2-(biphenyl-4-yl)ethylsulfonyl)acetic acid | CH...) Show SMILES OC(=O)CS(=O)(=O)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O4S/c17-16(18)12-21(19,20)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18)	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	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300481 (5-(3'-cyanobiphenyl-4-yl)-3-hydroxypentanoic acid ...) Show SMILES OC(CCc1ccc(cc1)-c1cccc(c1)C#N)CC(O)=O Show InChI InChI=1S/C18H17NO3/c19-12-14-2-1-3-16(10-14)15-7-4-13(5-8-15)6-9-17(20)11-18(21)22/h1-5,7-8,10,17,20H,6,9,11H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300478 (5-(biphenyl-4-yl)-3-methoxypentanoic acid | CHEMBL...) Show SMILES COC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C18H20O3/c1-21-17(13-18(19)20)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-13H2,1H3,(H,19,20)	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	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300466 (5-(4'-(benzyloxy)biphenyl-4-yl)-3-hydroxypentanoic...) Show SMILES OC(CCc1ccc(cc1)-c1ccc(OCc2ccccc2)cc1)CC(O)=O Show InChI InChI=1S/C24H24O4/c25-22(16-24(26)27)13-8-18-6-9-20(10-7-18)21-11-14-23(15-12-21)28-17-19-4-2-1-3-5-19/h1-7,9-12,14-15,22,25H,8,13,16-17H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300479 (3-hydroxy-5-(4-(pyridin-4-yl)phenyl)pentanoic acid...) Show SMILES OC(CCc1ccc(cc1)-c1ccncc1)CC(O)=O Show InChI InChI=1S/C16H17NO3/c18-15(11-16(19)20)6-3-12-1-4-13(5-2-12)14-7-9-17-10-8-14/h1-2,4-5,7-10,15,18H,3,6,11H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50369418 (CHEMBL58711 | R-87027) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |r,wD:1.0,(3.24,.55,;1.7,.51,;1,1.88,;-.51,2.18,;-1.69,1.19,;-1.65,-.35,;-.42,-1.28,;1.07,-.89,;2.07,-2.07,;3.58,-1.8,;4.58,-2.98,;6.09,-2.71,;4.05,-4.42,;-3.1,-1.07,;-3.17,-2.61,;-4.4,-.26,;-4.35,1.28,;-3,2,;-2.63,3.5,;-1.09,3.61,;-.28,4.92,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300474 (2-(2-(biphenyl-4-yl)ethylsulfinyl)acetic acid | CH...) Show SMILES OC(=O)CS(=O)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O3S/c17-16(18)12-20(19)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18)	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036586 ((S)-5-Fluoro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(F)ccc3[nH]c2=S |wD:1.0,(11.63,-15.32,;11.63,-13.78,;13.01,-13.12,;13.34,-11.61,;12.35,-10.4,;10.83,-10.41,;9.87,-11.63,;10.23,-13.12,;9.03,-14.11,;7.58,-13.56,;6.39,-14.53,;4.94,-13.98,;6.62,-16.05,;10.05,-9.08,;8.51,-9.1,;10.81,-7.75,;12.35,-7.75,;13.12,-9.08,;14.62,-9.41,;14.79,-10.93,;16.12,-11.69,)| Show InChI InChI=1S/C16H20FN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300476 (5-(biphenyl-4-yl)-3-oxopentanoic acid | CHEMBL5729...) Show SMILES OC(=O)CC(=O)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H16O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300473 (2-(2-(biphenyl-4-yl)ethylsulfonyl)acetic acid | CH...) Show SMILES OC(=O)CS(=O)(=O)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O4S/c17-16(18)12-21(19,20)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,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	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300475 (2-(2-(biphenyl-4-yl)ethylthio)acetic acid | CHEMBL...) Show SMILES OC(=O)CSCCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O2S/c17-16(18)12-19-11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18)	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	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036599 ((S)-5,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-t...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(C)ccc3[nH]c2=S |wD:1.0,(11.98,-15.32,;11.98,-13.78,;13.36,-13.12,;13.69,-11.61,;12.7,-10.4,;11.18,-10.41,;10.22,-11.63,;10.58,-13.12,;9.38,-14.11,;7.93,-13.56,;6.74,-14.53,;5.29,-13.98,;6.98,-16.05,;10.4,-9.08,;8.86,-9.1,;11.16,-7.75,;12.7,-7.75,;13.48,-9.08,;14.97,-9.41,;15.14,-10.93,;16.47,-11.69,)| Show InChI InChI=1S/C17H23N3S/c1-11(2)7-8-19-10-14-12(3)5-6-15-16(14)20(9-13(19)4)17(21)18-15/h5-7,13H,8-10H2,1-4H3,(H,18,21)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300467 (3-hydroxy-5-(4'-phenoxybiphenyl-4-yl)pentanoic aci...) Show SMILES OC(CCc1ccc(cc1)-c1ccc(Oc2ccccc2)cc1)CC(O)=O Show InChI InChI=1S/C23H22O4/c24-20(16-23(25)26)13-8-17-6-9-18(10-7-17)19-11-14-22(15-12-19)27-21-4-2-1-3-5-21/h1-7,9-12,14-15,20,24H,8,13,16H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300468 (5-(4-(dibenzo[b,d]furan-3-yl)phenyl)-3-hydroxypent...) Show SMILES OC(CCc1ccc(cc1)-c1ccc2c(c1)oc1ccccc21)CC(O)=O Show InChI InChI=1S/C23H20O4/c24-18(14-23(25)26)11-7-15-5-8-16(9-6-15)17-10-12-20-19-3-1-2-4-21(19)27-22(20)13-17/h1-6,8-10,12-13,18,24H,7,11,14H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300469 (5-(4-(9H-fluoren-2-yl)phenyl)-3-hydroxypentanoic a...) Show SMILES OC(CCc1ccc(cc1)-c1ccc-2c(Cc3ccccc-23)c1)CC(O)=O Show InChI InChI=1S/C24H22O3/c25-21(15-24(26)27)11-7-16-5-8-17(9-6-16)18-10-12-23-20(13-18)14-19-3-1-2-4-22(19)23/h1-6,8-10,12-13,21,25H,7,11,14-15H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036570 ((S)-5-Ethynyl-8-methyl-7-(3-methyl-but-2-enyl)-6,7...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=S)C#C |wD:1.0,(12.14,-15.83,;12.13,-14.29,;13.51,-13.61,;13.84,-12.11,;12.86,-10.9,;11.32,-10.92,;10.37,-12.13,;10.73,-13.63,;9.54,-14.61,;8.1,-14.05,;6.91,-15.03,;7.15,-16.55,;5.47,-14.47,;10.55,-9.6,;11.32,-8.27,;12.86,-8.26,;13.63,-9.59,;15.13,-9.92,;15.28,-11.43,;16.62,-12.19,;9.01,-9.6,;7.47,-9.6,)| Show InChI InChI=1S/C18H21N3S/c1-5-14-6-7-16-17-15(14)11-20(9-8-12(2)3)13(4)10-21(17)18(22)19-16/h1,6-8,13H,9-11H2,2-4H3,(H,19,22)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300468 (5-(4-(dibenzo[b,d]furan-3-yl)phenyl)-3-hydroxypent...) Show SMILES OC(CCc1ccc(cc1)-c1ccc2c(c1)oc1ccccc21)CC(O)=O Show InChI InChI=1S/C23H20O4/c24-18(14-23(25)26)11-7-15-5-8-16(9-6-15)17-10-12-20-19-3-1-2-4-21(19)27-22(20)13-17/h1-6,8-10,12-13,18,24H,7,11,14H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036605 ((S)-5-Methoxy-8-methyl-7-(3-methyl-but-2-enyl)-6,7...) Show SMILES COc1ccc2[nH]c(=S)n3C[C@H](C)N(CC=C(C)C)Cc1c23 |wU:11.11,(6.69,-4.68,;6.69,-6.22,;8.02,-6.99,;8.02,-8.54,;9.35,-9.31,;10.68,-8.54,;12.14,-9.03,;13.05,-7.78,;14.59,-7.79,;12.15,-6.53,;12.7,-4.99,;11.76,-3.35,;12.7,-1.71,;9.95,-3.41,;9.24,-2.04,;10.07,-.73,;9.35,.63,;10.17,1.93,;7.81,.69,;8.96,-4.75,;9.35,-6.24,;10.69,-7.01,)| Show InChI InChI=1S/C17H23N3OS/c1-11(2)7-8-19-10-13-15(21-4)6-5-14-16(13)20(9-12(19)3)17(22)18-14/h5-7,12H,8-10H2,1-4H3,(H,18,22)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50279762 ((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S |wD:1.0,(11.88,-16.19,;11.86,-14.64,;13.24,-13.98,;13.57,-12.47,;12.6,-11.27,;11.07,-11.28,;10.11,-12.49,;10.46,-13.99,;9.27,-14.97,;7.83,-14.43,;6.62,-15.39,;5.19,-14.85,;6.87,-16.91,;10.3,-9.95,;11.06,-8.61,;10.27,-7.28,;12.6,-8.61,;13.37,-9.95,;14.87,-10.27,;15.02,-11.79,;16.37,-12.56,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300467 (3-hydroxy-5-(4'-phenoxybiphenyl-4-yl)pentanoic aci...) Show SMILES OC(CCc1ccc(cc1)-c1ccc(Oc2ccccc2)cc1)CC(O)=O Show InChI InChI=1S/C23H22O4/c24-20(16-23(25)26)13-8-17-6-9-18(10-7-17)19-11-14-22(15-12-19)27-21-4-2-1-3-5-21/h1-7,9-12,14-15,20,24H,8,13,16H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1433 ((11S)-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |r,wD:1.0,(16.54,-10.87,;15.69,-9.78,;16.51,-8.45,;15.85,-7.02,;14.39,-6.55,;13.06,-7.32,;12.7,-8.76,;13.8,-9.86,;13.16,-11.23,;14.12,-12.51,;13.35,-13.93,;11.94,-14.42,;14.15,-15.25,;11.72,-6.55,;11.72,-5.01,;13.06,-4.24,;14.39,-5.01,;15.85,-4.53,;16.76,-5.78,;18.33,-5.78,)| Show InChI InChI=1S/C16H21N3S/c1-11(2)7-8-18-10-13-5-4-6-14-15(13)19(9-12(18)3)16(20)17-14/h4-7,12H,8-10H2,1-3H3,(H,17,20)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300480 (5-(4-(benzofuran-2-yl)phenyl)-3-hydroxypentanoic a...) Show SMILES OC(CCc1ccc(cc1)-c1cc2ccccc2o1)CC(O)=O Show InChI InChI=1S/C19H18O4/c20-16(12-19(21)22)10-7-13-5-8-14(9-6-13)18-11-15-3-1-2-4-17(15)23-18/h1-6,8-9,11,16,20H,7,10,12H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300481 (5-(3'-cyanobiphenyl-4-yl)-3-hydroxypentanoic acid ...) Show SMILES OC(CCc1ccc(cc1)-c1cccc(c1)C#N)CC(O)=O Show InChI InChI=1S/C18H17NO3/c19-12-14-2-1-3-16(10-14)15-7-4-13(5-8-15)6-9-17(20)11-18(21)22/h1-5,7-8,10,17,20H,6,9,11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50300477 (3-acetoxy-5-(biphenyl-4-yl)pentanoic acid | CHEMBL...) Show SMILES CC(=O)OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C19H20O4/c1-14(20)23-18(13-19(21)22)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-13H2,1H3,(H,21,22)	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	5.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036595 ((S)-8-Methyl-7-(3-methyl-but-2-enyl)-1-thioxo-1,2,...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=S)C#N |wD:1.0,(12.67,-15.73,;12.67,-14.19,;14.05,-13.51,;14.37,-12.01,;13.39,-10.8,;11.87,-10.81,;10.91,-12.03,;11.26,-13.53,;10.07,-14.5,;8.63,-13.95,;7.43,-14.93,;7.67,-16.45,;5.99,-14.37,;11.09,-9.49,;11.85,-8.16,;13.39,-8.15,;14.16,-9.48,;15.66,-9.81,;15.82,-11.33,;17.15,-12.08,;9.55,-9.49,;8.01,-9.49,)| Show InChI InChI=1S/C17H20N4S/c1-11(2)6-7-20-10-14-13(8-18)4-5-15-16(14)21(9-12(20)3)17(22)19-15/h4-6,12H,7,9-10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300475 (2-(2-(biphenyl-4-yl)ethylthio)acetic acid | CHEMBL...) Show SMILES OC(=O)CSCCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O2S/c17-16(18)12-19-11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,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	9.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50300474 (2-(2-(biphenyl-4-yl)ethylsulfinyl)acetic acid | CH...) Show SMILES OC(=O)CS(=O)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O3S/c17-16(18)12-20(19)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,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	9.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50300474 (2-(2-(biphenyl-4-yl)ethylsulfinyl)acetic acid | CH...) Show SMILES OC(=O)CS(=O)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O3S/c17-16(18)12-20(19)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18)	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	>9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50300475 (2-(2-(biphenyl-4-yl)ethylthio)acetic acid | CHEMBL...) Show SMILES OC(=O)CSCCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H16O2S/c17-16(18)12-19-11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,17,18)	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	>9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50300476 (5-(biphenyl-4-yl)-3-oxopentanoic acid | CHEMBL5729...) Show SMILES OC(=O)CC(=O)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H16O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50300477 (3-acetoxy-5-(biphenyl-4-yl)pentanoic acid | CHEMBL...) Show SMILES CC(=O)OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C19H20O4/c1-14(20)23-18(13-19(21)22)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-13H2,1H3,(H,21,22)	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	>9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50300478 (5-(biphenyl-4-yl)-3-methoxypentanoic acid | CHEMBL...) Show SMILES COC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C18H20O3/c1-21-17(13-18(19)20)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-13H2,1H3,(H,19,20)	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	>9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP1				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP3				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50300465 ((+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid | 5...) Show SMILES OC(CCc1ccc(cc1)-c1ccccc1)CC(O)=O Show InChI InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP7				Bioorg Med Chem Lett 19: 5760-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.155 BindingDB Entry DOI: 10.7270/Q2RR1Z91
					More data for this Ligand-Target Pair

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