BDBM50326686 CHEMBL1254940::N-(Cyclohexylmethyl)-3-[(2R,6R,11R)-8-hydroxy-6,11-dimethyl-1,4,5,6-tetrahydro-2,6-methano-3-benzazocin-3(2H)-yl]propanamide

SMILES: C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2

InChI Key: InChIKey=NJTSQQWAQBAVLU-MGBPKRAHSA-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 = 50326686   

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))	BDBM50326686 (CHEMBL1254940 | N-(Cyclohexylmethyl)-3-[(2R,6R,11R...) Show SMILES C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C24H36N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h8-9,13,17-18,20,27H,3-7,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50326686 (CHEMBL1254940 | N-(Cyclohexylmethyl)-3-[(2R,6R,11R...) Show SMILES C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C24H36N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h8-9,13,17-18,20,27H,3-7,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50326686 (CHEMBL1254940 | N-(Cyclohexylmethyl)-3-[(2R,6R,11R...) Show SMILES C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C24H36N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h8-9,13,17-18,20,27H,3-7,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair