BDBM50344435 CHEMBL1779999::trans-N-Benzyl-3-methoxy-N-methyl-3,4-dihydrospiro-[[2]benzopyran-1,1'-cyclohexan]-4'-amine

SMILES: COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1

InChI Key: InChIKey=AFKWCRVKGFPGQY-FXCIWXGGSA-N

Data: 8 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 8 hits for monomerid = 50344435   

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))	BDBM50344435 (CHEMBL1779999 | trans-N-Benzyl-3-methoxy-N-methyl-...) Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to human mu opioid receptor by cell based assay				J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50344435 (CHEMBL1779999 | trans-N-Benzyl-3-methoxy-N-methyl-...) Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in human RPMI8226 cell membranes incubated for 2 hrs under shaking by scintillation countin...				J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50344435 (CHEMBL1779999 | trans-N-Benzyl-3-methoxy-N-methyl-...) Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23-	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis				J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449
					More data for this Ligand-Target Pair
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50344435 (CHEMBL1779999 | trans-N-Benzyl-3-methoxy-N-methyl-...) Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50344435 (CHEMBL1779999 | trans-N-Benzyl-3-methoxy-N-methyl-...) Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer				Bioorg Med Chem 19: 3141-51 (2011) Article DOI: 10.1016/j.bmc.2011.04.002 BindingDB Entry DOI: 10.7270/Q2D21XXP
					More data for this Ligand-Target Pair
mu/kappa opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50344435 (CHEMBL1779999 | trans-N-Benzyl-3-methoxy-N-methyl-...) Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting analysis				J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50344435 (CHEMBL1779999 | trans-N-Benzyl-3-methoxy-N-methyl-...) Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	371	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat membranes after 120 mins by scintillation counting analysis				J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50344435 (CHEMBL1779999 | trans-N-Benzyl-3-methoxy-N-methyl-...) Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)| Show InChI InChI=1S/C23H29NO2/c1-24(17-18-8-4-3-5-9-18)20-12-14-23(15-13-20)21-11-7-6-10-19(21)16-22(25-2)26-23/h3-11,20,22H,12-17H2,1-2H3/t20-,22?,23-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449
					More data for this Ligand-Target Pair