BDBM50408728 CHEMBL339816

SMILES: CCCN(CCC)C(=O)Cc1c(nc2c(N)cccn12)-c1ccc(Cl)cc1

InChI Key: InChIKey=CXVKFNSXWLQAPM-UHFFFAOYSA-N

Data: 3 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50408728   

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 (Homo sapiens (Human))	BDBM50408728 (CHEMBL339816) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(N)cccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN4O/c1-3-11-25(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)24-21-17(23)6-5-13-26(18)21/h5-10,13H,3-4,11-12,14,23H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Palack£ University Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50408728 (CHEMBL339816) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(N)cccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN4O/c1-3-11-25(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)24-21-17(23)6-5-13-26(18)21/h5-10,13H,3-4,11-12,14,23H2,1-2H3	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£ degli Studi di Bari"A. Moro" Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat C6 cell membrane after 90 mins by radioligand binding assay				ACS Med Chem Lett 5: 685-9 (2014) Article DOI: 10.1021/ml5000788 BindingDB Entry DOI: 10.7270/Q26D5VKG
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50408728 (CHEMBL339816) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(N)cccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN4O/c1-3-11-25(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)24-21-17(23)6-5-13-26(18)21/h5-10,13H,3-4,11-12,14,23H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Palack£ University Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50408728 (CHEMBL339816) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(N)cccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN4O/c1-3-11-25(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)24-21-17(23)6-5-13-26(18)21/h5-10,13H,3-4,11-12,14,23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of rat cerebral cortex membranes				J Med Chem 42: 3934-41 (1999) BindingDB Entry DOI: 10.7270/Q2JM2BTF
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50408728 (CHEMBL339816) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(N)cccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN4O/c1-3-11-25(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)24-21-17(23)6-5-13-26(18)21/h5-10,13H,3-4,11-12,14,23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.57	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of rat ovary membranes				J Med Chem 42: 3934-41 (1999) BindingDB Entry DOI: 10.7270/Q2JM2BTF
					More data for this Ligand-Target Pair