Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50042676   

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 (Rattus norvegicus (rat))	BDBM50429213 (CHEMBL2332262) Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H22ClN3O2/c1-27(21-11-9-20(26)10-12-21)23(30)16-29-22-15-19(17-6-3-2-4-7-17)14-18-8-5-13-28(24(18)22)25(29)31/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429219 (CHEMBL2332256) Show SMILES CN(C(=O)Cn1c2cc(cc3OCCn(c23)c1=O)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H21N3O3/c1-25(19-10-6-3-7-11-19)22(28)16-27-20-14-18(17-8-4-2-5-9-17)15-21-23(20)26(24(27)29)12-13-30-21/h2-11,14-15H,12-13,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429217 (CHEMBL2332258) Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1 Show InChI InChI=1S/C26H25N3O2/c1-27(17-19-9-4-2-5-10-19)24(30)18-29-23-16-22(20-11-6-3-7-12-20)15-21-13-8-14-28(25(21)23)26(29)31/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429216 (CHEMBL2332259) Show SMILES COc1cccc(c1)N(C)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1 Show InChI InChI=1S/C26H25N3O3/c1-27(21-11-6-12-22(16-21)32-2)24(30)17-29-23-15-20(18-8-4-3-5-9-18)14-19-10-7-13-28(25(19)23)26(29)31/h3-6,8-9,11-12,14-16H,7,10,13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429220 (CHEMBL2332255) Show SMILES CN(C(=O)Cn1c2cc(cc3CCCCn(c23)c1=O)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H25N3O2/c1-27(22-13-6-3-7-14-22)24(30)18-29-23-17-21(19-10-4-2-5-11-19)16-20-12-8-9-15-28(25(20)23)26(29)31/h2-7,10-11,13-14,16-17H,8-9,12,15,18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429214 (CHEMBL2332261) Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C25H22ClN3O2/c1-27(21-11-5-10-20(26)15-21)23(30)16-29-22-14-19(17-7-3-2-4-8-17)13-18-9-6-12-28(24(18)22)25(29)31/h2-5,7-8,10-11,13-15H,6,9,12,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429215 (CHEMBL2332260) Show SMILES COc1ccc(cc1)N(C)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1 Show InChI InChI=1S/C26H25N3O3/c1-27(21-10-12-22(32-2)13-11-21)24(30)17-29-23-16-20(18-7-4-3-5-8-18)15-19-9-6-14-28(25(19)23)26(29)31/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429221 (CHEMBL2332254) Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H23N3O2/c1-26(21-12-6-3-7-13-21)23(29)17-28-22-16-20(18-9-4-2-5-10-18)15-19-11-8-14-27(24(19)22)25(28)30/h2-7,9-10,12-13,15-16H,8,11,14,17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50421096 (CHEMBL2088346) Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H18N2O3/c1-23(18-10-6-3-7-11-18)21(25)15-24-19-14-17(16-8-4-2-5-9-16)12-13-20(19)27-22(24)26/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt 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
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429218 (CHEMBL2332257) Show SMILES CCCN(CCC)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1 Show InChI InChI=1S/C24H29N3O2/c1-3-12-25(13-4-2)22(28)17-27-21-16-20(18-9-6-5-7-10-18)15-19-11-8-14-26(23(19)21)24(27)29/h5-7,9-10,15-16H,3-4,8,11-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					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	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50429211 (CHEMBL2331871) Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H22N4O2/c1-26(20-10-5-11-25-15-20)22(29)16-28-21-14-19(17-7-3-2-4-8-17)13-18-9-6-12-27(23(18)21)24(28)30/h2-5,7-8,10-11,13-15H,6,9,12,16H2,1H3	PDB KEGG UniProtKB/SwissProt 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
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429212 (CHEMBL2331870) Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H22N4O2/c1-26(21-11-5-6-12-25-21)22(29)16-28-20-15-19(17-8-3-2-4-9-17)14-18-10-7-13-27(23(18)20)24(28)30/h2-6,8-9,11-12,14-15H,7,10,13,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50421100 (CHEMBL2088358) Show SMILES CN(C(=O)Cn1c2cccc(-c3ccccc3)c2oc1=O)c1ccccc1 Show InChI InChI=1S/C22H18N2O3/c1-23(17-11-6-3-7-12-17)20(25)15-24-19-14-8-13-18(21(19)27-22(24)26)16-9-4-2-5-10-16/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429210 (CHEMBL2331872) Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C24H22N4O2/c1-26(20-9-11-25-12-10-20)22(29)16-28-21-15-19(17-6-3-2-4-7-17)14-18-8-5-13-27(23(18)21)24(28)30/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50429209 (CHEMBL2331873) Show SMILES O=C(Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)Nc1ccccc1 Show InChI InChI=1S/C24H21N3O2/c28-22(25-20-11-5-2-6-12-20)16-27-21-15-19(17-8-3-1-4-9-17)14-18-10-7-13-26(23(18)21)24(27)29/h1-6,8-9,11-12,14-15H,7,10,13,16H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem 21: 1257-67 (2013) Article DOI: 10.1016/j.bmc.2012.12.024 BindingDB Entry DOI: 10.7270/Q28053ZS
					More data for this Ligand-Target Pair