Compile Data Set for Download or QSAR

Found 762 hits with Last Name = 'becker' and Initial = 'w'   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50057073 ((2S,4R)-6-(4'-Fluoro-biphenyl-4-yl)-4-((S)-3-methy...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccc(F)cc1)C[C@H](CCCCN1Cc2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM50057050 ((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C34H42FN3O4/c1-5-6-7-27(33(41)42)22-26(13-10-23-8-11-24(12-9-23)25-14-16-28(35)17-15-25)31(39)38-30(34(2,3)4)32(40)37-29-18-20-36-21-19-29/h8-9,11-12,14-21,26-27,30H,5-7,10,13,22H2,1-4H3,(H,38,39)(H,41,42)(H,36,37,40)/t26-,27+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426352 (CHEMBL2321996) Show SMILES CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3| Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50426355 (CHEMBL2321991) Show SMILES OCC[C@@]1(CCCNC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50021218 ((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...) Show SMILES CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NET in rat synaptosomal membrane				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50426353 (CHEMBL2321993) Show SMILES OCC[C@@]1(CCCNC1)c1cc2ccccc2o1 |r| Show InChI InChI=1S/C15H19NO2/c17-9-7-15(6-3-8-16-11-15)14-10-12-4-1-2-5-13(12)18-14/h1-2,4-5,10,16-17H,3,6-9,11H2/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057063 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-phenylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C35H43FN2O4/c1-5-6-10-28(34(41)42)23-27(18-15-24-13-16-25(17-14-24)26-19-21-29(36)22-20-26)32(39)38-31(35(2,3)4)33(40)37-30-11-8-7-9-12-30/h7-9,11-14,16-17,19-22,27-28,31H,5-6,10,15,18,23H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t27-,28+,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426357 (CHEMBL2326695) Show SMILES OCC[C@@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-8-18)5-1-2-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057041 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(SC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O4S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426352 (CHEMBL2321996) Show SMILES CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3| Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50426357 (CHEMBL2326695) Show SMILES OCC[C@@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-8-18)5-1-2-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426351 (CHEMBL2321999) Show SMILES Clc1ccc(cc1Cl)[C@@H]1CNCC=CC1 |r,c:13| Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426353 (CHEMBL2321993) Show SMILES OCC[C@@]1(CCCNC1)c1cc2ccccc2o1 |r| Show InChI InChI=1S/C15H19NO2/c17-9-7-15(6-3-8-16-11-15)14-10-12-4-1-2-5-13(12)18-14/h1-2,4-5,10,16-17H,3,6-9,11H2/t15-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426350 (CHEMBL2322000) Show SMILES Clc1ccc(cc1Cl)[C@H]1CNCC=CC1 |r,c:13| Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50021218 ((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...) Show SMILES CN1C[C@@H](c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426350 (CHEMBL2322000) Show SMILES Clc1ccc(cc1Cl)[C@H]1CNCC=CC1 |r,c:13| Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426361 (CHEMBL2326691) Show SMILES CN1CCCCC(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h5-6,8,11H,2-4,7,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426358 (CHEMBL2326694) Show SMILES COCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:6| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-8-18-7-3-2-4-13(11-18)12-5-6-14(16)15(17)10-12/h2-3,5-6,10,13H,4,7-9,11H2,1H3/t13-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057061 ((2S,4R)-2-Butyl-6-(4'-cyano-biphenyl-4-yl)-4-((S)-...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-26(30(37)38)19-25(28(35)34-27(29(36)33-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-32)13-17-24/h9-10,12-17,25-27H,6-8,11,18-19H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t25-,26+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426355 (CHEMBL2321991) Show SMILES OCC[C@@]1(CCCNC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2/t13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426349 (CHEMBL2322001) Show SMILES C1NCC(CC=C1)c1ccc2ccccc2c1 |c:5| Show InChI InChI=1S/C16H17N/c1-2-6-14-11-15(9-8-13(14)5-1)16-7-3-4-10-17-12-16/h1-6,8-9,11,16-17H,7,10,12H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057074 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41FN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057046 ((2S,4R)-2-Butyl-6-(2'-tert-butylsulfamoyl-biphenyl...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C34H51N3O6S/c1-9-10-13-26(32(40)41)22-25(30(38)36-29(31(39)35-8)33(2,3)4)21-18-23-16-19-24(20-17-23)27-14-11-12-15-28(27)44(42,43)37-34(5,6)7/h11-12,14-17,19-20,25-26,29,37H,9-10,13,18,21-22H2,1-8H3,(H,35,39)(H,36,38)(H,40,41)/t25-,26+,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426360 (CHEMBL2326692) Show SMILES Clc1ccc(cc1Cl)C1CCCCNC1 Show InChI InChI=1S/C12H15Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h4-5,7,10,15H,1-3,6,8H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057062 ((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H45N3O4/c1-6-8-10-25(30(37)38)21-24(16-15-23-13-11-22(9-7-2)12-14-23)28(35)34-27(31(3,4)5)29(36)33-26-17-19-32-20-18-26/h11-14,17-20,24-25,27H,6-10,15-16,21H2,1-5H3,(H,34,35)(H,37,38)(H,32,33,36)/t24-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057039 ((2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Br)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41BrN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057088 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccccc1F)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41FN2O4/c1-6-7-10-23(29(36)37)19-22(27(34)33-26(28(35)32-5)30(2,3)4)18-15-20-13-16-21(17-14-20)24-11-8-9-12-25(24)31/h8-9,11-14,16-17,22-23,26H,6-7,10,15,18-19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t22-,23+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50426352 (CHEMBL2321996) Show SMILES CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3| Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057054 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cc2ccccc2[nH]1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C32H43N3O4/c1-6-7-10-25(31(38)39)19-24(29(36)35-28(30(37)33-5)32(2,3)4)18-15-21-13-16-22(17-14-21)27-20-23-11-8-9-12-26(23)34-27/h8-9,11-14,16-17,20,24-25,28,34H,6-7,10,15,18-19H2,1-5H3,(H,33,37)(H,35,36)(H,38,39)/t24-,25+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057076 ((2S,4R)-2-Butyl-6-(2',4'-dichloro-biphenyl-4-yl)-4...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H40Cl2N2O4/c1-6-7-8-22(29(37)38)17-21(27(35)34-26(28(36)33-5)30(2,3)4)14-11-19-9-12-20(13-10-19)24-16-15-23(31)18-25(24)32/h9-10,12-13,15-16,18,21-22,26H,6-8,11,14,17H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t21-,22+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50426359 (CHEMBL2326693) Show SMILES OCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:5| Show InChI InChI=1S/C14H17Cl2NO/c15-13-5-4-11(9-14(13)16)12-3-1-2-6-17(10-12)7-8-18/h1-2,4-5,9,12,18H,3,6-8,10H2/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50426363 (CHEMBL2321997) Show SMILES CN1CC=CC[C@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3| Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DAT expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057075 ((2S,4R)-2-Butyl-6-(4'-chloro-biphenyl-4-yl)-4-((S)...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41ClN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50057041 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(SC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O4S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057079 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O5/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50057061 ((2S,4R)-2-Butyl-6-(4'-cyano-biphenyl-4-yl)-4-((S)-...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-26(30(37)38)19-25(28(35)34-27(29(36)33-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-32)13-17-24/h9-10,12-17,25-27H,6-8,11,18-19H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t25-,26+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50426358 (CHEMBL2326694) Show SMILES COCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:6| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-8-18-7-3-2-4-13(11-18)12-5-6-14(16)15(17)10-12/h2-3,5-6,10,13H,4,7-9,11H2,1H3/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057081 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1cccc(c1)-c1ccsc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C28H40N2O4S/c1-6-7-10-22(27(33)34)17-21(25(31)30-24(26(32)29-5)28(2,3)4)13-12-19-9-8-11-20(16-19)23-14-15-35-18-23/h8-9,11,14-16,18,21-22,24H,6-7,10,12-13,17H2,1-5H3,(H,29,32)(H,30,31)(H,33,34)/t21-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057067 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(C=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H42N2O5/c1-6-7-8-26(30(37)38)19-25(28(35)33-27(29(36)32-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-34)13-17-24/h9-10,12-17,20,25-27H,6-8,11,18-19H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)/t25-,26+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50057067 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(C=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H42N2O5/c1-6-7-8-26(30(37)38)19-25(28(35)33-27(29(36)32-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-34)13-17-24/h9-10,12-17,20,25-27H,6-8,11,18-19H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)/t25-,26+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50057052 ((2S,4R)-6-(4-Benzyl-phenyl)-2-butyl-4-((S)-2,2-dim...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C36H46N2O4/c1-5-6-15-30(35(41)42)25-29(23-22-26-18-20-28(21-19-26)24-27-13-9-7-10-14-27)33(39)38-32(36(2,3)4)34(40)37-31-16-11-8-12-17-31/h7-14,16-21,29-30,32H,5-6,15,22-25H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t29-,30+,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50426351 (CHEMBL2321999) Show SMILES Clc1ccc(cc1Cl)[C@@H]1CNCC=CC1 |r,c:13| Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant NET expressed in HEK cells				ACS Med Chem Lett 4: 46-51 (2013) Article DOI: 10.1021/ml300262e BindingDB Entry DOI: 10.7270/Q2FQ9XXK
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50057074 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41FN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50057039 ((2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Br)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41BrN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057090 ((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...) Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50057072 ((2S,4R)-2-Butyl-6-(3'-chloro-4'-fluoro-biphenyl-4-...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H40ClFN2O4/c1-6-7-8-23(29(37)38)17-22(27(35)34-26(28(36)33-5)30(2,3)4)14-11-19-9-12-20(13-10-19)21-15-16-25(32)24(31)18-21/h9-10,12-13,15-16,18,22-23,26H,6-8,11,14,17H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t22-,23+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50057065 ((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...) Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O6S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(19-17-23)40(6,38)39/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gelatinase A (Matrix metalloproteinase-2)				J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR
					More data for this Ligand-Target Pair

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