Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'chelli' and Initial = 'b'   

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))	BDBM22038 (2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	-50.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22038 (2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143231 (2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-N,N-dihexyl-...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H35ClN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143232 (2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-2-ox...) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143233 (CHEMBL292847 | N,N-Dibutyl-2-[2-(4-chloro-phenyl)-...) Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClN2O2/c1-3-5-15-27(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h7-14,26H,3-6,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143220 (CHEMBL294625 | N,N-Dihexyl-2-oxo-2-(2-phenyl-1H-in...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C28H36N2O2/c1-3-5-7-14-20-30(21-15-8-6-4-2)28(32)27(31)25-23-18-12-13-19-24(23)29-26(25)22-16-10-9-11-17-22/h9-13,16-19,29H,3-8,14-15,20-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143245 (CHEMBL55135 | N,N-Dihexyl-2-oxo-2-(2-p-tolyl-1H-in...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(C)cc1 Show InChI InChI=1S/C29H38N2O2/c1-4-6-8-12-20-31(21-13-9-7-5-2)29(33)28(32)26-24-14-10-11-15-25(24)30-27(26)23-18-16-22(3)17-19-23/h10-11,14-19,30H,4-9,12-13,20-21H2,1-3H3	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
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143225 (CHEMBL300762 | N,N-Dibutyl-2-[5-chloro-2-(4-chloro...) Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N2O2/c1-3-5-13-28(14-6-4-2)24(30)23(29)21-19-15-18(26)11-12-20(19)27-22(21)16-7-9-17(25)10-8-16/h7-12,15,27H,3-6,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143227 (CHEMBL54403 | N,N-Dibutyl-2-[2-(4-fluoro-phenyl)-1...) Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H27FN2O2/c1-3-5-15-27(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h7-14,26H,3-6,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143242 (2-(5-Chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipr...) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccccc1 Show InChI InChI=1S/C22H23ClN2O2/c1-3-12-25(13-4-2)22(27)21(26)19-17-14-16(23)10-11-18(17)24-20(19)15-8-6-5-7-9-15/h5-11,14,24H,3-4,12-13H2,1-2H3	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 Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143240 (CHEMBL431747 | N,N-Dibutyl-2-oxo-2-(2-p-tolyl-1H-i...) Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(C)cc1 Show InChI InChI=1S/C25H30N2O2/c1-4-6-16-27(17-7-5-2)25(29)24(28)22-20-10-8-9-11-21(20)26-23(22)19-14-12-18(3)13-15-19/h8-15,26H,4-7,16-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143244 (2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-2-oxo-N,N-di...) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23FN2O2/c1-3-13-25(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)24-20(19)15-9-11-16(23)12-10-15/h5-12,24H,3-4,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143234 (2-(2-(4-chlorophenyl)-1H-indol-3-yl)-2-oxo-N,N-dip...) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN2O2/c1-3-13-25(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)24-20(19)15-9-11-16(23)12-10-15/h5-12,24H,3-4,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143228 (CHEMBL54066 | N,N-Dibutyl-2-(5-chloro-2-phenyl-1H-...) Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccccc1 Show InChI InChI=1S/C24H27ClN2O2/c1-3-5-14-27(15-6-4-2)24(29)23(28)21-19-16-18(25)12-13-20(19)26-22(21)17-10-8-7-9-11-17/h7-13,16,26H,3-6,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143224 (2-Oxo-N,N-dipropyl-2-(2-p-tolyl-1H-indol-3-yl)-ace...) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(C)cc1 Show InChI InChI=1S/C23H26N2O2/c1-4-14-25(15-5-2)23(27)22(26)20-18-8-6-7-9-19(18)24-21(20)17-12-10-16(3)11-13-17/h6-13,24H,4-5,14-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143238 (2-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-N,N...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H34Cl2N2O2/c1-3-5-7-9-17-32(18-10-8-6-4-2)28(34)27(33)25-23-19-22(30)15-16-24(23)31-26(25)20-11-13-21(29)14-12-20/h11-16,19,31H,3-10,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143236 (CHEMBL431938 | N,N-Dibutyl-2-oxo-2-(2-phenyl-1H-in...) Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C24H28N2O2/c1-3-5-16-26(17-6-4-2)24(28)23(27)21-19-14-10-11-15-20(19)25-22(21)18-12-8-7-9-13-18/h7-15,25H,3-6,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					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	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM22037 (2-Phenylindolglyoxylamide Derivative, 6 | 2-[2-(4-...) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12 Show InChI InChI=1S/C28H25FN6O5/c29-18-11-9-17(10-12-18)24-23(19-7-3-4-8-20(19)32-24)27(36)28(37)31-16-6-2-1-5-15-30-21-13-14-22(35(38)39)26-25(21)33-40-34-26/h3-4,7-14,30,32H,1-2,5-6,15-16H2,(H,31,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-42.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143223 (2-Oxo-2-(2-phenyl-1H-indol-3-yl)-N,N-dipropyl-acet...) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C22H24N2O2/c1-3-14-24(15-4-2)22(26)21(25)19-17-12-8-9-13-18(17)23-20(19)16-10-6-5-7-11-16/h5-13,23H,3-4,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143226 (2-Oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)-acet...) Show SMILES CCCCCN(CCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H32N2O2/c1-3-5-12-18-28(19-13-6-4-2)26(30)25(29)23-21-16-10-11-17-22(21)27-24(23)20-14-8-7-9-15-20/h7-11,14-17,27H,3-6,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22036 (2-Phenylindolglyoxylamide Derivative, 5 | 7-nitrob...) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12 Show InChI InChI=1S/C28H26N6O5/c35-27(23-19-12-6-7-13-20(19)31-24(23)18-10-4-3-5-11-18)28(36)30-17-9-2-1-8-16-29-21-14-15-22(34(37)38)26-25(21)32-39-33-26/h3-7,10-15,29,31H,1-2,8-9,16-17H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-41.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143237 (CHEMBL55190 | N,N-Di-sec-butyl-2-oxo-2-(2-phenyl-1...) Show SMILES CCC(C)N(C(C)CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C24H28N2O2/c1-5-16(3)26(17(4)6-2)24(28)23(27)21-19-14-10-11-15-20(19)25-22(21)18-12-8-7-9-13-18/h7-17,25H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50372736 (CHEMBL270492) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3F)ncnc12 |w:7.8| Show InChI InChI=1S/C20H16ClF2N5/c21-17(13-5-7-15(22)8-6-13)11-28-20-16(10-27-28)19(25-12-26-20)24-9-14-3-1-2-4-18(14)23/h1-8,10,12,17H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
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	-40.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22035 (2-Phenylindolglyoxylamide Derivative, 4 | 2-[2-(4-...) Show SMILES [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12 Show InChI InChI=1S/C26H21FN6O5/c27-16-9-7-15(8-10-16)22-21(17-5-1-2-6-18(17)30-22)25(34)26(35)29-14-4-3-13-28-19-11-12-20(33(36)37)24-23(19)31-38-32-24/h1-2,5-12,28,30H,3-4,13-14H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	-40.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
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 Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143222 (1-Azepan-1-yl-2-(2-phenyl-1H-indol-3-yl)-ethane-1,...) Show SMILES O=C(N1CCCCCC1)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C22H22N2O2/c25-21(22(26)24-14-8-1-2-9-15-24)19-17-12-6-7-13-18(17)23-20(19)16-10-4-3-5-11-16/h3-7,10-13,23H,1-2,8-9,14-15H2	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
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354485 (CHEMBL412298) Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15| Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-2-1-3-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-5-4-8-16(22)9-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22034 (2-Phenylindolglyoxylamide Derivative, 3 | 7-nitrob...) Show SMILES [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12 Show InChI InChI=1S/C26H22N6O5/c33-25(21-17-10-4-5-11-18(17)29-22(21)16-8-2-1-3-9-16)26(34)28-15-7-6-14-27-19-12-13-20(32(35)36)24-23(19)30-37-31-24/h1-5,8-13,27,29H,6-7,14-15H2,(H,28,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143239 (CHEMBL55126 | N,N-Diethyl-2-oxo-2-(2-phenyl-1H-ind...) Show SMILES CCN(CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H20N2O2/c1-3-22(4-2)20(24)19(23)17-15-12-8-9-13-16(15)21-18(17)14-10-6-5-7-11-14/h5-13,21H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143229 (2-(5-Chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccccc1 Show InChI InChI=1S/C28H35ClN2O2/c1-3-5-7-12-18-31(19-13-8-6-4-2)28(33)27(32)25-23-20-22(29)16-17-24(23)30-26(25)21-14-10-9-11-15-21/h9-11,14-17,20,30H,3-8,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50372741 (CHEMBL408966) Show SMILES ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Cl)cc1 |w:1.0| Show InChI InChI=1S/C20H16Cl3N5/c21-15-6-4-14(5-7-15)18(23)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(22)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343424 (1-(2-chloro-2-(4-chlorophenyl)ethyl)-N-(4-fluorobe...) Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14| Show InChI InChI=1S/C20H16Cl2FN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50372737 (CHEMBL261827) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3cccc(F)c3)ncnc12 |w:7.8| Show InChI InChI=1S/C20H16ClF2N5/c21-18(14-4-6-15(22)7-5-14)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(23)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143221 (CHEMBL301836 | N,N-Diisopropyl-2-oxo-2-(2-phenyl-1...) Show SMILES CC(C)N(C(C)C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C22H24N2O2/c1-14(2)24(15(3)4)22(26)21(25)19-17-12-8-9-13-18(17)23-20(19)16-10-6-5-7-11-16/h5-15,23H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50372735 (CHEMBL429600) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12 |w:7.8| Show InChI InChI=1S/C20H16Cl2FN5/c21-15-3-1-2-13(8-15)9-24-19-17-10-27-28(20(17)26-12-25-19)11-18(22)14-4-6-16(23)7-5-14/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50372738 (CHEMBL270286) Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(F)cc4)ncc23)cc1 |w:14.14| Show InChI InChI=1S/C20H16ClF2N5/c21-18(14-3-7-16(23)8-4-14)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-5-15(22)6-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50372740 (CHEMBL273090) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3Cl)ncnc12 |w:7.8| Show InChI InChI=1S/C20H16Cl2FN5/c21-17-4-2-1-3-14(17)9-24-19-16-10-27-28(20(16)26-12-25-19)11-18(22)13-5-7-15(23)8-6-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354486 (CHEMBL411043) Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1 Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50372739 (CHEMBL410931) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3)ncnc12 |w:7.8| Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-8-16(22)9-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-4-2-1-3-5-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142887 (1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...) Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143235 (1-(2-Phenyl-1H-indol-3-yl)-2-piperidin-1-yl-ethane...) Show SMILES O=C(N1CCCCC1)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C21H20N2O2/c24-20(21(25)23-13-7-2-8-14-23)18-16-11-5-6-12-17(16)22-19(18)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	665	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354487 (CHEMBL270958) Show SMILES Fc1ccccc1CNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 |w:16.17| Show InChI InChI=1S/C20H17ClFN5/c21-17(14-6-2-1-3-7-14)12-27-20-16(11-26-27)19(24-13-25-20)23-10-15-8-4-5-9-18(15)22/h1-9,11,13,17H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50143243 (2-Oxo-2-(2-phenyl-1H-indol-3-yl)-N-propyl-acetamid...) Show SMILES CCCNC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C19H18N2O2/c1-2-12-20-19(23)18(22)16-14-10-6-7-11-15(14)21-17(16)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	815	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane				J Med Chem 47: 1852-5 (2004) Article DOI: 10.1021/jm030973k BindingDB Entry DOI: 10.7270/Q2WQ04K6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22033 (2-Phenylindolglyoxylamide Derivative, 2 | 2-[2-(4-...) Show SMILES [O-][N+](=O)c1ccc(NCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12 Show InChI InChI=1S/C24H17FN6O5/c25-14-7-5-13(6-8-14)20-19(15-3-1-2-4-16(15)28-20)23(32)24(33)27-12-11-26-17-9-10-18(31(34)35)22-21(17)29-36-30-22/h1-10,26,28H,11-12H2,(H,27,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	835	-32.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22031 (2-Phenylindolglyoxylamide Derivative, 1 | 7-nitrob...) Show SMILES [O-][N+](=O)c1ccc(NCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12 Show InChI InChI=1S/C24H18N6O5/c31-23(19-15-8-4-5-9-16(15)27-20(19)14-6-2-1-3-7-14)24(32)26-13-12-25-17-10-11-18(30(33)34)22-21(17)28-35-29-22/h1-11,25,27H,12-13H2,(H,26,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	994	-31.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair

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