BDBM50120354 3-((S)-8-Chloro-1,2-dimethyl-6-pyridin-2-yl-4H-3,5,10b-triaza-benzo[e]azulen-4-yl)-propionic acid methyl ester::CHEMBL111030

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c(C)c(C)nc12

InChI Key: InChIKey=FJYMKPSNPVCHLQ-SFHVURJKSA-N

Data: 1 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 1 hit for monomerid = 50120354   

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))	BDBM50120354 (3-((S)-8-Chloro-1,2-dimethyl-6-pyridin-2-yl-4H-3,5...) Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c(C)c(C)nc12 |t:7| Show InChI InChI=1S/C22H21ClN4O2/c1-13-14(2)27-19-9-7-15(23)12-16(19)21(17-6-4-5-11-24-17)26-18(22(27)25-13)8-10-20(28)29-3/h4-7,9,11-12,18H,8,10H2,1-3H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against rat benzodiazepine (BZD) receptor				Bioorg Med Chem Lett 12: 3219-22 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X4F
					More data for this Ligand-Target Pair