Compile Data Set for Download or QSAR

Found 1560 hits with Last Name = 'cho' and Initial = 'sj'   

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
Translocator protein (Homo sapiens (Human))	BDBM50159089 (CHEMBL180523 | N,N-Dibutyl-2-[6,8-dichloro-2-(4-ch...) Show SMILES CCCCN(CCCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26Cl3N3O/c1-3-5-11-28(12-6-4-2)21(30)14-20-22(16-7-9-17(24)10-8-16)27-23-19(26)13-18(25)15-29(20)23/h7-10,13,15H,3-6,11-12,14H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50045877 (2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...) Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50257333 ((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...) Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r| Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT2B receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT2B receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50257335 (CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...) Show SMILES NCC1CC1c1ccccc1Br Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT2B receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210940 (CHEMBL3948914) Show SMILES CC(C)c1ccc(C)c(NC(=O)Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc23)c1 Show InChI InChI=1S/C26H25Cl2N3O/c1-16(2)18-12-11-17(3)23(13-18)30-26(32)15-31-24-10-5-4-9-22(24)29-25(31)14-19-20(27)7-6-8-21(19)28/h4-13,16H,14-15H2,1-3H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50257333 ((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...) Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r| Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50257394 (CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...) Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r| Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT2B receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50257398 (CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r| Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT2B receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50257335 (CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...) Show SMILES NCC1CC1c1ccccc1Br Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50161646 ((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...) Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT2B receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50257398 (CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r| Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	242	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50257333 ((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...) Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r| Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50161646 ((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...) Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50257394 (CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...) Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r| Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50257335 (CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...) Show SMILES NCC1CC1c1ccccc1Br Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	655	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50183699 (CHEMBL437510 | N-(2,4-dihydroxybenzyl)-3,5-dihydro...) Show SMILES Oc1ccc(CNC(=O)c2cc(O)cc(O)c2)c(O)c1 Show InChI InChI=1S/C14H13NO5/c16-10-2-1-8(13(19)6-10)7-15-14(20)9-3-11(17)5-12(18)4-9/h1-6,16-19H,7H2,(H,15,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase				Bioorg Med Chem Lett 16: 2682-4 (2006) Article DOI: 10.1016/j.bmcl.2006.02.018 BindingDB Entry DOI: 10.7270/Q2Z31Z7F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50257394 (CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...) Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r| Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50257333 ((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...) Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r| Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50161646 ((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...) Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50257398 (CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r| Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50257335 (CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...) Show SMILES NCC1CC1c1ccccc1Br Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50257335 (CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...) Show SMILES NCC1CC1c1ccccc1Br Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50257398 (CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r| Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50161646 ((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...) Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50257398 (CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r| Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50257333 ((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...) Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r| Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50257333 ((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...) Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r| Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50257394 (CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...) Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r| Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50257394 (CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...) Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r| Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50257398 (CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r| Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50161646 ((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...) Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50257394 (CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...) Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r| Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50161646 ((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...) Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50257335 (CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...) Show SMILES NCC1CC1c1ccccc1Br Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ROS1 by HotSpot assay relative to control				Bioorg Med Chem Lett 19: 4720-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.066 BindingDB Entry DOI: 10.7270/Q2Z89CG9
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344779 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Homo sapiens (Human))	BDBM50185957 (CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...) Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344783 ((S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CC(C)(C)SC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H26F3N3O2S/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Homo sapiens (Human))	BDBM50210943 (CHEMBL3970955) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2ccc(F)cc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-11-9-18(24)14-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50317169 ((2'Z,3'E)-5-Nitro-5'-fluoro-indirubin-3'-oxime | C...) Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(F)cc4c3N=[OH+])c2c1 |(19.84,4.61,;18.7,3.57,;17.23,4.04,;19.03,2.07,;20.5,1.6,;20.83,.09,;19.69,-.94,;19.69,-2.48,;18.22,-2.96,;17.74,-4.42,;17.32,-1.71,;15.78,-1.71,;14.87,-2.97,;13.39,-2.49,;12.06,-3.26,;10.72,-2.49,;10.73,-.94,;9.39,-.17,;12.05,-.17,;13.39,-.93,;14.87,-.45,;15.34,1.01,;16.85,1.33,;18.22,-.46,;17.9,1.03,)| Show InChI InChI=1S/C16H8FN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344777 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1COC1CCCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H26F3N3O3/c21-15-10-17(23)16(22)8-12(15)7-13(24)9-19(27)26-6-5-25-20(28)18(26)11-29-14-3-1-2-4-14/h8,10,13-14,18H,1-7,9,11,24H2,(H,25,28)/t13-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1560 total )  |  Next  |  Last  >>

Jump to: