null

SMILES: CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(cc12)N=C=S)-c1ccccc1

InChI Key: InChIKey=BBUOTHLKDVWRRT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50316601   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Translocator protein (Rattus norvegicus (rat))	BDBM50316601 (CHEMBL1097503 | N,N-Dihexyl-[5-isothiocyanato-2-ph...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(cc12)N=C=S)-c1ccccc1 Show InChI InChI=1S/C29H35N3O2S/c1-3-5-7-12-18-32(19-13-8-6-4-2)29(34)28(33)26-24-20-23(30-21-35)16-17-25(24)31-27(26)22-14-10-9-11-15-22/h9-11,14-17,20,31H,3-8,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from TSPO in rat kidney mitochondrial membrane				J Med Chem 53: 4085-93 (2010) Article DOI: 10.1021/jm100100q BindingDB Entry DOI: 10.7270/Q2XG9R9C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50316601 (CHEMBL1097503 | N,N-Dihexyl-[5-isothiocyanato-2-ph...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(cc12)N=C=S)-c1ccccc1 Show InChI InChI=1S/C29H35N3O2S/c1-3-5-7-12-18-32(19-13-8-6-4-2)29(34)28(33)26-24-20-23(30-21-35)16-17-25(24)31-27(26)22-14-10-9-11-15-22/h9-11,14-17,20,31H,3-8,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.07	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Irreversible binding affinity to TSPO in rat kidney mitochondrial membrane				J Med Chem 53: 4085-93 (2010) Article DOI: 10.1021/jm100100q BindingDB Entry DOI: 10.7270/Q2XG9R9C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50316601 (CHEMBL1097503 | N,N-Dihexyl-[5-isothiocyanato-2-ph...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(cc12)N=C=S)-c1ccccc1 Show InChI InChI=1S/C29H35N3O2S/c1-3-5-7-12-18-32(19-13-8-6-4-2)29(34)28(33)26-24-20-23(30-21-35)16-17-25(24)31-27(26)22-14-10-9-11-15-22/h9-11,14-17,20,31H,3-8,12-13,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59.7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from TSPO in rat kidney mitochondrial membrane				J Med Chem 53: 4085-93 (2010) Article DOI: 10.1021/jm100100q BindingDB Entry DOI: 10.7270/Q2XG9R9C
					More data for this Ligand-Target Pair