Compile Data Set for Download or QSAR

Found 272 hits with Last Name = 'martin' and Initial = 'fm'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132686 (CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132687 (CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132685 (CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132678 (CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132684 (CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...) Show SMILES CNCC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132677 (CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132683 (6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50026952 ((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...) Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-NE re-uptake into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132680 (CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132685 (CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132684 (CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...) Show SMILES CNCC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of DA re-uptake into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132681 (CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132682 (CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro ability of compound to inhibit 5-HT re-uptake of radiolabelled [3H]-tritium trasmitter into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132686 (CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132677 (CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50026952 ((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...) Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132683 (6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132683 (6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132687 (CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132682 (CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132688 (CHEMBL323447 | Dimethyl-(3-naphthalen-1-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-15-10-11-16(12-15)20(19)18-9-5-7-14-6-3-4-8-17(14)18/h3-9,15-16,19-20H,10-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026952 ((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...) Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132680 (CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132682 (CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of DA re-uptake into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132681 (CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132681 (CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132678 (CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Compound was tested for its ability to displace [3H]-citalopram from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132685 (CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132680 (CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132677 (CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132686 (CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132688 (CHEMBL323447 | Dimethyl-(3-naphthalen-1-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-15-10-11-16(12-15)20(19)18-9-5-7-14-6-3-4-8-17(14)18/h3-9,15-16,19-20H,10-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132684 (CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...) Show SMILES CNCC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132678 (CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132687 (CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	385	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132688 (CHEMBL323447 | Dimethyl-(3-naphthalen-1-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-15-10-11-16(12-15)20(19)18-9-5-7-14-6-3-4-8-17(14)18/h3-9,15-16,19-20H,10-13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290436 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C20H39N3O4/c1-6-7-8-9-10-11-12-13-15(14-16(24)23-27)18(25)22-17(19(26)21-5)20(2,3)4/h15,17,27H,6-14H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	<0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50031790 ((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290448 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCCCCCCCCCCCO)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C25H49N3O5/c1-25(2,3)22(24(32)26-4)27-23(31)20(19-21(30)28-33)17-15-13-11-9-7-5-6-8-10-12-14-16-18-29/h20,22,29,33H,5-19H2,1-4H3,(H,26,32)(H,27,31)(H,28,30)/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290442 ((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C22H35N3O4/c1-3-4-5-6-7-11-14-18(16-20(26)25-29)21(27)24-19(22(28)23-2)15-17-12-9-8-10-13-17/h8-10,12-13,18-19,29H,3-7,11,14-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290441 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C27H53N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(31)30-34)25(32)29-24(26(33)28-5)27(2,3)4/h22,24,34H,6-21H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290439 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H37N3O4/c1-6-7-8-9-10-11-12-14(13-15(23)22-26)17(24)21-16(18(25)20-5)19(2,3)4/h14,16,26H,6-13H2,1-5H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290449 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C25H49N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-21(29)28-32)23(30)27-22(24(31)26-5)25(2,3)4/h20,22,32H,6-19H2,1-5H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290450 ((R)-2-Dodecyl-N*4*-hydroxy-N*1*-((S)-1-methylcarba...) Show SMILES CCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C26H43N3O4/c1-3-4-5-6-7-8-9-10-11-15-18-22(20-24(30)29-33)25(31)28-23(26(32)27-2)19-21-16-13-12-14-17-21/h12-14,16-17,22-23,33H,3-11,15,18-20H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290433 ((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...) Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C23H37N3O4/c1-3-4-5-6-7-8-12-15-19(17-21(27)26-30)22(28)25-20(23(29)24-2)16-18-13-10-9-11-14-18/h9-11,13-14,19-20,30H,3-8,12,15-17H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290456 ((R)-2-Heptyl-N*4*-hydroxy-N*1*-((S)-1-methylcarbam...) Show SMILES CCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C21H33N3O4/c1-3-4-5-6-10-13-17(15-19(25)24-28)20(26)23-18(21(27)22-2)14-16-11-8-7-9-12-16/h7-9,11-12,17-18,28H,3-6,10,13-15H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50290436 ((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...) Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C20H39N3O4/c1-6-7-8-9-10-11-12-13-15(14-16(24)23-27)18(25)22-17(19(26)21-5)20(2,3)4/h15,17,27H,6-14H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t15-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant Gelatinase B (MMP-9)				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair

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