Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50038577   

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))	BDBM50271820 (1-(2-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...) Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I Show InChI InChI=1S/C20H18FIN2O/c1-24(12-6-11-21)20(25)18-13-14-7-2-3-8-15(14)19(23-18)16-9-4-5-10-17(16)22/h2-5,7-10,13H,6,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50271821 (1-(3-Iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...) Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1cccc(I)c1 Show InChI InChI=1S/C20H18FIN2O/c1-24(11-5-10-21)20(25)18-13-14-6-2-3-9-17(14)19(23-18)15-7-4-8-16(22)12-15/h2-4,6-9,12-13H,5,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					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	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					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	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50271822 (1-(4-Iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...) Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1ccc(I)cc1 Show InChI InChI=1S/C20H18FIN2O/c1-24(12-4-11-21)20(25)18-13-15-5-2-3-6-17(15)19(23-18)14-7-9-16(22)10-8-14/h2-3,5-10,13H,4,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50271873 (1-(2-Iodophenyl)-N-methyl-N-(2-fluoroethyl)-3-isoq...) Show SMILES CN(CCF)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I Show InChI InChI=1S/C19H16FIN2O/c1-23(11-10-20)19(24)17-12-13-6-2-3-7-14(13)18(22-17)15-8-4-5-9-16(15)21/h2-9,12H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	421	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	574	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50271820 (1-(2-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...) Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I Show InChI InChI=1S/C20H18FIN2O/c1-24(12-6-11-21)20(25)18-13-14-7-2-3-8-15(14)19(23-18)16-9-4-5-10-17(16)22/h2-5,7-10,13H,6,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50271821 (1-(3-Iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...) Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1cccc(I)c1 Show InChI InChI=1S/C20H18FIN2O/c1-24(11-5-10-21)20(25)18-13-14-6-2-3-9-17(14)19(23-18)15-7-4-8-16(22)12-15/h2-4,6-9,12-13H,5,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50271822 (1-(4-Iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...) Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1ccc(I)cc1 Show InChI InChI=1S/C20H18FIN2O/c1-24(12-4-11-21)20(25)18-13-15-5-2-3-6-17(15)19(23-18)14-7-9-16(22)10-8-14/h2-3,5-10,13H,4,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66.5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50271873 (1-(2-Iodophenyl)-N-methyl-N-(2-fluoroethyl)-3-isoq...) Show SMILES CN(CCF)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I Show InChI InChI=1S/C19H16FIN2O/c1-23(11-10-20)19(24)17-12-13-6-2-3-7-14(13)18(22-17)15-8-4-5-9-16(15)21/h2-9,12H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	445	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50255226 ((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human PBR				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					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	n/a	2	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human PBR				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human PBR				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					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	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human PBR				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
					More data for this Ligand-Target Pair