BDBM50013854 CHEMBL310829::{2-[5-Azido-2-(4-ethoxy-benzyl)-benzoimidazol-1-yl]-ethyl}-diethyl-amine

SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=[N+]=[N-])cc1

InChI Key: InChIKey=XRJKLEVINATTLW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50013854   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013854 (CHEMBL310829 | {2-[5-Azido-2-(4-ethoxy-benzyl)-ben...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=[N+]=[N-])cc1 Show InChI InChI=1S/C22H28N6O/c1-4-27(5-2)13-14-28-21-12-9-18(25-26-23)16-20(21)24-22(28)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Inhibition of [3H]DAGO binding to rat brain membrane Opioid receptor mu 1				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50013854 (CHEMBL310829 | {2-[5-Azido-2-(4-ethoxy-benzyl)-ben...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=[N+]=[N-])cc1 Show InChI InChI=1S/C22H28N6O/c1-4-27(5-2)13-14-28-21-12-9-18(25-26-23)16-20(21)24-22(28)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(T= total opioid receptor family)				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50013854 (CHEMBL310829 | {2-[5-Azido-2-(4-ethoxy-benzyl)-ben...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=[N+]=[N-])cc1 Show InChI InChI=1S/C22H28N6O/c1-4-27(5-2)13-14-28-21-12-9-18(25-26-23)16-20(21)24-22(28)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	242	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Opioid receptor kappa 1 apparent binding constant from guinea pig cerebellum using [3H]diprenorphine binding assay				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50013854 (CHEMBL310829 | {2-[5-Azido-2-(4-ethoxy-benzyl)-ben...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=[N+]=[N-])cc1 Show InChI InChI=1S/C22H28N6O/c1-4-27(5-2)13-14-28-21-12-9-18(25-26-23)16-20(21)24-22(28)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Opioid receptor delta 1 apparent binding constant from rat brain membranes using [3H]DADLE binding assay				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair