BDBM50013853 1-[2-(4-Azido-phenyl)-ethyl]-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester::CHEMBL81328

SMILES: CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(cc2)N=[N+]=[N-])CC1)C(=O)OC

InChI Key: InChIKey=JJNIRYXPIANNDH-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 = 50013853   

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))	BDBM50013853 (1-[2-(4-Azido-phenyl)-ethyl]-4-(phenyl-propionyl-a...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(cc2)N=[N+]=[N-])CC1)C(=O)OC Show InChI InChI=1S/C24H29N5O3/c1-3-22(30)29(21-7-5-4-6-8-21)24(23(31)32-2)14-17-28(18-15-24)16-13-19-9-11-20(12-10-19)26-27-25/h4-12H,3,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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)	BDBM50013853 (1-[2-(4-Azido-phenyl)-ethyl]-4-(phenyl-propionyl-a...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(cc2)N=[N+]=[N-])CC1)C(=O)OC Show InChI InChI=1S/C24H29N5O3/c1-3-22(30)29(21-7-5-4-6-8-21)24(23(31)32-2)14-17-28(18-15-24)16-13-19-9-11-20(12-10-19)26-27-25/h4-12H,3,13-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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))	BDBM50013853 (1-[2-(4-Azido-phenyl)-ethyl]-4-(phenyl-propionyl-a...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(cc2)N=[N+]=[N-])CC1)C(=O)OC Show InChI InChI=1S/C24H29N5O3/c1-3-22(30)29(21-7-5-4-6-8-21)24(23(31)32-2)14-17-28(18-15-24)16-13-19-9-11-20(12-10-19)26-27-25/h4-12H,3,13-18H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	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))	BDBM50013853 (1-[2-(4-Azido-phenyl)-ethyl]-4-(phenyl-propionyl-a...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(cc2)N=[N+]=[N-])CC1)C(=O)OC Show InChI InChI=1S/C24H29N5O3/c1-3-22(30)29(21-7-5-4-6-8-21)24(23(31)32-2)14-17-28(18-15-24)16-13-19-9-11-20(12-10-19)26-27-25/h4-12H,3,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	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