BDBM50021054 CHEMBL3287610

SMILES: CCCN(CCC)C(=O)Cc1c(nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12)-c1ccc(Cl)cc1

InChI Key: InChIKey=WAKIVHHZNLSCKE-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50021054   

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
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50021054 (CHEMBL3287610) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H38ClN7O2/c1-3-19-42(20-4-2)33(45)22-31-34(26-13-15-27(36)16-14-26)40-35-30(12-9-21-43(31)35)39-32(44)25-41(23-28-10-5-7-17-37-28)24-29-11-6-8-18-38-29/h5-18,21H,3-4,19-20,22-25H2,1-2H3,(H,39,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	239	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))	BDBM50021054 (CHEMBL3287610) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H38ClN7O2/c1-3-19-42(20-4-2)33(45)22-31-34(26-13-15-27(36)16-14-26)40-35-30(12-9-21-43(31)35)39-32(44)25-41(23-28-10-5-7-17-37-28)24-29-11-6-8-18-38-29/h5-18,21H,3-4,19-20,22-25H2,1-2H3,(H,39,44)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	293	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
Translocator protein (Homo sapiens (Human))	BDBM50021054 (CHEMBL3287610) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H38ClN7O2/c1-3-19-42(20-4-2)33(45)22-31-34(26-13-15-27(36)16-14-26)40-35-30(12-9-21-43(31)35)39-32(44)25-41(23-28-10-5-7-17-37-28)24-29-11-6-8-18-38-29/h5-18,21H,3-4,19-20,22-25H2,1-2H3,(H,39,44)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	293	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