Compile Data Set for Download or QSAR

Found 3691 hits with Last Name = 'hori' and Initial = 't'   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50095523 (CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1 Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095523 (CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1 Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206761 (CHEMBL3958278) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc4OCCOc4c3)CC2)c1 Show InChI InChI=1S/C23H28BrNO3/c1-26-20-3-4-21(24)19(16-20)14-18-7-10-25(11-8-18)9-6-17-2-5-22-23(15-17)28-13-12-27-22/h2-5,15-16,18H,6-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095526 (CHEMBL24058 | [(S)-2-methyl-1-((S)-2-{(S)-2-methyl...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1noc(Cc2cccc(C)c2)n1 Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)30-34-26(44-37-30)18-24-14-9-11-22(5)17-24)35-31(40)25-15-10-16-38(25)32(41)28(21(3)4)36-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,35,40)(H,36,42)/t25-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095526 (CHEMBL24058 | [(S)-2-methyl-1-((S)-2-{(S)-2-methyl...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1noc(Cc2cccc(C)c2)n1 Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)30-34-26(44-37-30)18-24-14-9-11-22(5)17-24)35-31(40)25-15-10-16-38(25)32(41)28(21(3)4)36-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,35,40)(H,36,42)/t25-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095530 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H29FN6O4/c1-16(2)22(23(37)25-33-34-27(39-25)28(3,4)18-8-6-5-7-9-18)32-21(36)15-35-24(31-14-20(30)26(35)38)17-10-12-19(29)13-11-17/h5-14,16,22H,15,30H2,1-4H3,(H,32,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095530 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H29FN6O4/c1-16(2)22(23(37)25-33-34-27(39-25)28(3,4)18-8-6-5-7-9-18)32-21(36)15-35-24(31-14-20(30)26(35)38)17-10-12-19(29)13-11-17/h5-14,16,22H,15,30H2,1-4H3,(H,32,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095521 ((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(Cc2cccc(C)c2)o1 Show InChI InChI=1S/C27H27FN6O4/c1-15(2)23(24(36)26-33-32-22(38-26)12-17-6-4-5-16(3)11-17)31-21(35)14-34-25(30-13-20(29)27(34)37)18-7-9-19(28)10-8-18/h4-11,13,15,23H,12,14,29H2,1-3H3,(H,31,35)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095521 ((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(Cc2cccc(C)c2)o1 Show InChI InChI=1S/C27H27FN6O4/c1-15(2)23(24(36)26-33-32-22(38-26)12-17-6-4-5-16(3)11-17)31-21(35)14-34-25(30-13-20(29)27(34)37)18-7-9-19(28)10-8-18/h4-11,13,15,23H,12,14,29H2,1-3H3,(H,31,35)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206755 (CHEMBL3940484) Show SMILES COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1 Show InChI InChI=1S/C22H28BrNO2/c1-25-20-5-3-17(4-6-20)9-12-24-13-10-18(11-14-24)15-19-16-21(26-2)7-8-22(19)23/h3-8,16,18H,9-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206797 (CHEMBL3974952) Show SMILES COc1cccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c1 Show InChI InChI=1S/C22H28BrNO2/c1-25-20-5-3-4-17(15-20)8-11-24-12-9-18(10-13-24)14-19-16-21(26-2)6-7-22(19)23/h3-7,15-16,18H,8-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206788 (CHEMBL3949638) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc4ccccc4c3)CC2)c1 Show InChI InChI=1S/C25H28BrNO/c1-28-24-8-9-25(26)23(18-24)17-20-11-14-27(15-12-20)13-10-19-6-7-21-4-2-3-5-22(21)16-19/h2-9,16,18,20H,10-15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206759 (CHEMBL3964504) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(F)cc3)CC2)c1 Show InChI InChI=1S/C21H25BrFNO/c1-25-20-6-7-21(22)18(15-20)14-17-9-12-24(13-10-17)11-8-16-2-4-19(23)5-3-16/h2-7,15,17H,8-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206756 (CHEMBL3950161) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(Cl)c3)CC2)c1 Show InChI InChI=1S/C22H27BrClNO2/c1-26-19-4-5-20(23)18(15-19)13-17-8-11-25(12-9-17)10-7-16-3-6-22(27-2)21(24)14-16/h3-6,14-15,17H,7-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206753 (CHEMBL3940863) Show SMILES COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c(Cl)c1 Show InChI InChI=1S/C22H27BrClNO2/c1-26-19-5-6-21(23)18(14-19)13-16-7-10-25(11-8-16)12-9-17-3-4-20(27-2)15-22(17)24/h3-6,14-16H,7-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095519 ((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H29FN6O6/c1-15(2)23(33-22(37)13-36-25(32-12-19(31)27(36)39)16-5-8-18(30)9-6-16)24(38)26-34-35-28(42-26)29(3,4)17-7-10-20-21(11-17)41-14-40-20/h5-12,15,23H,13-14,31H2,1-4H3,(H,33,37)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095519 ((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H29FN6O6/c1-15(2)23(33-22(37)13-36-25(32-12-19(31)27(36)39)16-5-8-18(30)9-6-16)24(38)26-34-35-28(42-26)29(3,4)17-7-10-20-21(11-17)41-14-40-20/h5-12,15,23H,13-14,31H2,1-4H3,(H,33,37)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206775 (CHEMBL3982923) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(Cl)cc3)CC2)c1 Show InChI InChI=1S/C21H25BrClNO/c1-25-20-6-7-21(22)18(15-20)14-17-9-12-24(13-10-17)11-8-16-2-4-19(23)5-3-16/h2-7,15,17H,8-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095525 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1cccc(C)c1 Show InChI InChI=1S/C29H31FN6O4/c1-16(2)23(24(38)26-34-35-28(40-26)29(4,5)19-8-6-7-17(3)13-19)33-22(37)15-36-25(32-14-21(31)27(36)39)18-9-11-20(30)12-10-18/h6-14,16,23H,15,31H2,1-5H3,(H,33,37)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095525 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1cccc(C)c1 Show InChI InChI=1S/C29H31FN6O4/c1-16(2)23(24(38)26-34-35-28(40-26)29(4,5)19-8-6-7-17(3)13-19)33-22(37)15-36-25(32-14-21(31)27(36)39)18-9-11-20(30)12-10-18/h6-14,16,23H,15,31H2,1-5H3,(H,33,37)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206772 (CHEMBL3942037) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(C)cc3)CC2)c1 Show InChI InChI=1S/C22H28BrNO/c1-17-3-5-18(6-4-17)9-12-24-13-10-19(11-14-24)15-20-16-21(25-2)7-8-22(20)23/h3-8,16,19H,9-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206785 (CHEMBL3963429) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(OC)c3)CC2)c1 Show InChI InChI=1S/C23H30BrNO3/c1-26-20-5-6-21(24)19(16-20)14-18-9-12-25(13-10-18)11-8-17-4-7-22(27-2)23(15-17)28-3/h4-7,15-16,18H,8-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50098818 (2-{3-Methyl-2-[(pyridine-3-carbonyl)-amino]-butyry...) Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C32H40N6O5/c1-18(2)24(26(39)29-36-37-31(43-29)32(5,6)7)34-28(41)23-15-20-11-8-9-12-22(20)17-38(23)30(42)25(19(3)4)35-27(40)21-13-10-14-33-16-21/h8-14,16,18-19,23-25H,15,17H2,1-7H3,(H,34,41)(H,35,40)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206763 (CHEMBL3912020) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cc(OC)c(OC)cc3Cl)CC2)c1 Show InChI InChI=1S/C23H29BrClNO3/c1-27-19-4-5-20(24)18(13-19)12-16-6-9-26(10-7-16)11-8-17-14-22(28-2)23(29-3)15-21(17)25/h4-5,13-16H,6-12H2,1-3H3	PDB UniProtKB/SwissProt 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
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206757 (CHEMBL3921860) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cccc4OCCOc34)CC2)c1 Show InChI InChI=1S/C23H28BrNO3/c1-26-20-5-6-21(24)19(16-20)15-17-7-10-25(11-8-17)12-9-18-3-2-4-22-23(18)28-14-13-27-22/h2-6,16-17H,7-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50098833 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(Cc2ccccc2)o1 Show InChI InChI=1S/C26H25FN6O4/c1-15(2)22(23(35)25-32-31-21(37-25)12-16-6-4-3-5-7-16)30-20(34)14-33-24(29-13-19(28)26(33)36)17-8-10-18(27)11-9-17/h3-11,13,15,22H,12,14,28H2,1-2H3,(H,30,34)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206762 (CHEMBL3894524) Show SMILES COc1ccc(Cl)c(CC2CCN(CCc3ccccc3)CC2)c1 Show InChI InChI=1S/C21H26ClNO/c1-24-20-7-8-21(22)19(16-20)15-18-10-13-23(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50098827 (2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N-{2-...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H30N6O4/c1-17(2)22(23(36)25-32-33-27(38-25)28(3,4)19-13-9-6-10-14-19)31-21(35)16-34-24(18-11-7-5-8-12-18)30-15-20(29)26(34)37/h5-15,17,22H,16,29H2,1-4H3,(H,31,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206764 (CHEMBL3913541) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccccc3)CC2)c1 Show InChI InChI=1S/C21H26BrNO/c1-24-20-7-8-21(22)19(16-20)15-18-10-13-23(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206776 (CHEMBL3896561) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cccc(Cl)c3)CC2)c1 Show InChI InChI=1S/C21H25BrClNO/c1-25-20-5-6-21(22)18(15-20)13-17-8-11-24(12-9-17)10-7-16-3-2-4-19(23)14-16/h2-6,14-15,17H,7-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206774 (CHEMBL3924225) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccccc3OC)CC2)c1 Show InChI InChI=1S/C22H28BrNO2/c1-25-20-7-8-21(23)19(16-20)15-17-9-12-24(13-10-17)14-11-18-5-3-4-6-22(18)26-2/h3-8,16-17H,9-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia 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
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50098817 (2-[2-(4-Fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(nccc1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H28FN5O4/c1-17(2)23(24(37)26-32-33-27(38-26)28(3,4)19-8-6-5-7-9-19)31-21(35)16-34-22(36)14-15-30-25(34)18-10-12-20(29)13-11-18/h5-15,17,23H,16H2,1-4H3,(H,31,35)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095527 ((S)-2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095527 ((S)-2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190677 ((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...) Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(18.37,-17.66,;16.95,-18.23,;16.58,-19.73,;15.04,-19.83,;14.48,-18.4,;13.03,-17.88,;12.76,-16.36,;13.94,-15.36,;15.38,-15.89,;15.65,-17.41,;13.87,-13.82,;12.58,-12.98,;12.99,-11.49,;12.71,-10.09,;11.36,-9.48,;9.89,-10.13,;10.08,-11.51,;11.62,-10.85,;11.87,-8.95,;11.43,-7.84,;14.52,-11.41,;15.07,-12.85,;16.56,-13.26,)| Show InChI InChI=1S/C17H17BrN2O3/c18-14-8-22-15-2-1-12(7-13(14)15)20-10-17(23-16(20)21)9-19-5-3-11(17)4-6-19/h1-2,7-8,11H,3-6,9-10H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190686 ((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...) Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(27.52,-20.9,;26.53,-19.72,;25,-19.82,;24.43,-18.39,;22.98,-17.87,;22.71,-16.35,;23.89,-15.35,;25.34,-15.88,;25.6,-17.4,;26.9,-18.22,;28.33,-17.65,;23.82,-13.81,;22.53,-12.96,;22.94,-11.47,;22.66,-10.07,;21.3,-9.46,;19.83,-10.11,;20.03,-11.49,;21.57,-10.83,;21.82,-8.93,;21.38,-7.82,;24.48,-11.4,;25.02,-12.84,;26.52,-13.24,)| Show InChI InChI=1S/C19H22N2O3/c1-12-13(2)23-17-4-3-15(9-16(12)17)21-11-19(24-18(21)22)10-20-7-5-14(19)6-8-20/h3-4,9,14H,5-8,10-11H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190696 ((2S)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:8.18,TLB:7:8:12.11:14.15,THB:16:8:12.11:14.15,(5.67,-5.62,;4.7,-4.42,;3.16,-4.5,;2.61,-3.06,;3.81,-2.09,;5.1,-2.93,;3.74,-.55,;2.45,.29,;2.85,1.77,;2.57,3.17,;1.22,3.79,;-.25,3.14,;-.05,1.76,;1.49,2.42,;1.74,4.32,;1.29,5.43,;4.39,1.85,;4.93,.41,;6.42,.01,)| Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206784 (CHEMBL3913057) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccccc3Cl)CC2)c1 Show InChI InChI=1S/C21H25BrClNO/c1-25-19-6-7-20(22)18(15-19)14-16-8-11-24(12-9-16)13-10-17-4-2-3-5-21(17)23/h2-7,15-16H,8-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206770 (CHEMBL3939995) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cccc4ccccc34)CC2)c1 Show InChI InChI=1S/C25H28BrNO/c1-28-23-9-10-25(26)22(18-23)17-19-11-14-27(15-12-19)16-13-21-7-4-6-20-5-2-3-8-24(20)21/h2-10,18-19H,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50098830 (1-{3-Methyl-2-[(pyridine-3-carbonyl)-amino]-butyry...) Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1[C@@H](Cc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C31H38N6O5/c1-17(2)23(25(38)28-35-36-30(42-28)31(5,6)7)33-27(40)22-15-19-11-8-9-13-21(19)37(22)29(41)24(18(3)4)34-26(39)20-12-10-14-32-16-20/h8-14,16-18,22-24H,15H2,1-7H3,(H,33,40)(H,34,39)/t22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206760 (CHEMBL3892582) Show SMILES COc1ccc(F)c(CC2CCN(CCc3ccccc3)CC2)c1 Show InChI InChI=1S/C21H26FNO/c1-24-20-7-8-21(22)19(16-20)15-18-10-13-23(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095520 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C23H27FN6O4/c1-12(2)17(18(32)20-28-29-22(34-20)23(3,4)5)27-16(31)11-30-19(26-10-15(25)21(30)33)13-6-8-14(24)9-7-13/h6-10,12,17H,11,25H2,1-5H3,(H,27,31)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095520 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C23H27FN6O4/c1-12(2)17(18(32)20-28-29-22(34-20)23(3,4)5)27-16(31)11-30-19(26-10-15(25)21(30)33)13-6-8-14(24)9-7-13/h6-10,12,17H,11,25H2,1-5H3,(H,27,31)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206777 (CHEMBL3942269) Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1 Show InChI InChI=1S/C23H27BrClNO3/c1-27-19-2-3-20(24)18(13-19)12-16-4-7-26(8-5-16)9-6-17-14-22-23(15-21(17)25)29-11-10-28-22/h2-3,13-16H,4-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50098823 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) Show SMILES CCCCc1nnc(o1)C(=O)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C23H27FN6O4/c1-4-5-6-18-28-29-22(34-18)20(32)19(13(2)3)27-17(31)12-30-21(26-11-16(25)23(30)33)14-7-9-15(24)10-8-14/h7-11,13,19H,4-6,12,25H2,1-3H3,(H,27,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50098826 (2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N-{2-...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C1(C)CC1 Show InChI InChI=1S/C23H26N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3)9-10-23)26-16(30)12-29-19(14-7-5-4-6-8-14)25-11-15(24)21(29)32/h4-8,11,13,17H,9-10,12,24H2,1-3H3,(H,26,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50095778 (4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...) Show SMILES Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1 Show InChI InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680				J Med Chem 44: 170-9 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q0X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50206765 (CHEMBL3906576) Show SMILES Cl.COCCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1 Show InChI InChI=1S/C25H31BrClNO4/c1-29-10-11-30-21-2-3-22(26)20(15-21)14-18-4-7-28(8-5-18)9-6-19-16-24-25(17-23(19)27)32-13-12-31-24/h2-3,15-18H,4-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B
					More data for this Ligand-Target Pair

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