BDBM50199934 3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahydro-1H-pyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL219495::US8580788, 58

SMILES: C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=MNIJXUFCXYXKGB-BPUDTRNYSA-N

Data: 6 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 9 hits for monomerid = 50199934   

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))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells				J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	5.5	-11.3	21	n/a	n/a	n/a	n/a	7.8	25
Adolor Corporation US Patent					Assay Description The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).				US Patent US8580788 (2013) BindingDB Entry DOI: 10.7270/Q2N29VKK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells				J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	112	-9.48	n/a	n/a	n/a	n/a	n/a	7.8	25
Adolor Corporation US Patent					Assay Description The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).				US Patent US8580788 (2013) BindingDB Entry DOI: 10.7270/Q2N29VKK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cells				J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	242	-9.02	n/a	n/a	n/a	n/a	n/a	7.8	25
Adolor Corporation US Patent					Assay Description The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).				US Patent US8580788 (2013) BindingDB Entry DOI: 10.7270/Q2N29VKK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Antagonist activity assessed as inhibition of loperamide-stimulated [35S]GTPgammaS binding to human mu opioid receptor expressed in CHO cells				J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells				J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50199934 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...) Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Antagonist activity assessed as inhibition of BW373U86-stimulated [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cells				J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8
					More data for this Ligand-Target Pair