BDBM50021347 CHEMBL12391::N-(3-Methyl-1-phenethyl-piperidin-4-yl)-N-phenyl-propionamide::N-(3-Methyl-1-phenethyl-piperidin-4-yl)-N-phenyl-propionamide((3R,4S)-cis-3-methylfentanyl)

SMILES: CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1

InChI Key: InChIKey=MLQRZXNZHAOCHQ-KNQAVFIVSA-N

Data: 3 KI  4 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 7 hits for monomerid = 50021347   

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 (Homo sapiens (Human))	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1				J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1				J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1				J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vivo binding affinity to opioid receptor preparations from rat brain				J Med Chem 29: 1087-93 (1986) BindingDB Entry DOI: 10.7270/Q2JQ1364
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement [3H]naloxone from rat-brain Opioid receptors				J Med Chem 25: 913-9 (1982) BindingDB Entry DOI: 10.7270/Q2CF9S9G
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vivo binding affinity to opioid receptor preparations from rat brain				J Med Chem 29: 1087-93 (1986) BindingDB Entry DOI: 10.7270/Q2JQ1364
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]nalotrexone from rat-brain Opioid receptors				J Med Chem 25: 913-9 (1982) BindingDB Entry DOI: 10.7270/Q2CF9S9G
					More data for this Ligand-Target Pair