Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 6726   

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))	BDBM150169 (US8980887, Compound 13) Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(C)cc1 Show InChI InChI=1S/C26H27N3O/c1-4-28(18-21-8-6-5-7-9-21)25(30)17-23-26(22-12-10-19(2)11-13-22)27-24-16-20(3)14-15-29(23)24/h5-16H,4,17-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.97	-49.5	6.99	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150168 (US8980887, Compound 11) Show SMILES COCCN(Cc1ccccn1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H24Cl2N4O2/c1-17-8-10-31-22(25(29-23(31)13-17)18-6-7-20(26)21(27)14-18)15-24(32)30(11-12-33-2)16-19-5-3-4-9-28-19/h3-10,13-14H,11-12,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.66	-47.5	15.6	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150164 (US8980887, Compound 1) Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O/c1-3-28(17-19-7-5-4-6-8-19)24(30)16-22-25(20-9-11-21(26)12-10-20)27-23-15-18(2)13-14-29(22)23/h4-15H,3,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.17	-47.3	16.9	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150166 (US8980887, Compound 8) Show SMILES CCN(Cc1ccccn1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O/c1-3-29(15-18-6-4-5-10-27-18)23(31)14-21-24(17-7-8-19(25)20(26)13-17)28-22-12-16(2)9-11-30(21)22/h4-13H,3,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.34	-46.6	21.9	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150167 (US8980887, Compound 10) Show SMILES CCN(Cc1ccncc1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O/c1-3-29(15-17-6-9-27-10-7-17)23(31)14-21-24(18-4-5-19(25)20(26)13-18)28-22-12-16(2)8-11-30(21)22/h4-13H,3,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11.1	-46.2	26.1	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150170 (US8980887, Compound 14) Show SMILES CCN(Cc1ccccn1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(C)cc1 Show InChI InChI=1S/C25H26N4O/c1-4-28(17-21-7-5-6-13-26-21)24(30)16-22-25(20-10-8-18(2)9-11-20)27-23-15-19(3)12-14-29(22)23/h5-15H,4,16-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38.7	-43.0	91.0	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150165 (US8980887, Compound 7) Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H23Cl2N3O/c1-3-29(16-18-7-5-4-6-8-18)24(31)15-22-25(19-9-10-20(26)21(27)14-19)28-23-13-17(2)11-12-30(22)23/h4-14H,3,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	49.2	-42.4	116	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair