Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50044289   

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))	BDBM50011484 (CHEMBL3261894) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011498 (CHEMBL3261908) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C24H19ClN2O/c1-27(16-17-9-3-2-4-10-17)24(28)22-15-18-11-5-6-12-19(18)23(26-22)20-13-7-8-14-21(20)25/h2-15H,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.442	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011495 (CHEMBL3261905) Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C25H22ClN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.489	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011494 (CHEMBL3261904) Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C25H22FN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011486 (CHEMBL3261896) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.762	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011483 (CHEMBL3261893) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.888	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011481 (CHEMBL3261891) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H21N3O/c1-2-27(17-18-11-5-3-6-12-18)24(28)23-25-21-16-10-9-15-20(21)22(26-23)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3	PDB KEGG UniProtKB/SwissProt 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
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011497 (CHEMBL3261907) Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C23H18FN3O/c1-27(15-16-9-3-2-4-10-16)23(28)22-25-20-14-8-6-12-18(20)21(26-22)17-11-5-7-13-19(17)24/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt 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
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011487 (CHEMBL3261897) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(C)cc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O/c1-3-28(17-19-9-5-4-6-10-19)25(29)24-26-22-12-8-7-11-21(22)23(27-24)20-15-13-18(2)14-16-20/h4-16H,3,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011485 (CHEMBL3261895) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3	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
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011488 (CHEMBL3261898) Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O/c1-3-28(17-19-15-13-18(2)14-16-19)25(29)24-26-22-12-8-7-11-21(22)23(27-24)20-9-5-4-6-10-20/h4-16H,3,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011489 (CHEMBL3261899) Show SMILES CCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O2/c1-3-28(17-18-13-15-20(30-2)16-14-18)25(29)24-26-22-12-8-7-11-21(22)23(27-24)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011492 (CHEMBL3261902) Show SMILES CCOC(=O)c1ccc(CN(CC)C(=O)c2nc(-c3ccccc3)c3ccccc3n2)cc1 Show InChI InChI=1S/C27H25N3O3/c1-3-30(18-19-14-16-21(17-15-19)27(32)33-4-2)26(31)25-28-23-13-9-8-12-22(23)24(29-25)20-10-6-5-7-11-20/h5-17H,3-4,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011496 (CHEMBL3261906) Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C23H19N3O/c1-26(16-17-10-4-2-5-11-17)23(27)22-24-20-15-9-8-14-19(20)21(25-22)18-12-6-3-7-13-18/h2-15H,16H2,1H3	PDB KEGG UniProtKB/SwissProt 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
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011491 (CHEMBL3261901) Show SMILES CCN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H20N4O3/c1-2-27(16-17-12-14-19(15-13-17)28(30)31)24(29)23-25-21-11-7-6-10-20(21)22(26-23)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011499 (CHEMBL3261909) Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C23H18ClN3O/c1-27(15-16-7-3-2-4-8-16)23(28)22-25-20-10-6-5-9-19(20)21(26-22)17-11-13-18(24)14-12-17/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011490 (CHEMBL3261900) Show SMILES CCN(Cc1ccc(O)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H21N3O2/c1-2-27(16-17-12-14-19(28)15-13-17)24(29)23-25-21-11-7-6-10-20(21)22(26-23)18-8-4-3-5-9-18/h3-15,28H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					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	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM22040 (4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011482 (CHEMBL3261892) Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-9-5-3-6-10-17)24(29)23-26-21-14-13-19(25)15-20(21)22(27-23)18-11-7-4-8-12-18/h3-15H,2,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50011493 (CHEMBL3261903) Show SMILES CCN(Cc1ccc(cc1)C(O)=O)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H21N3O3/c1-2-28(16-17-12-14-19(15-13-17)25(30)31)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	719	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes				J Med Chem 57: 2413-28 (2014) Article DOI: 10.1021/jm401721h BindingDB Entry DOI: 10.7270/Q2416ZKP
					More data for this Ligand-Target Pair