BDBM50199913 ((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2-R]pyrazin-2(6H)-yl)(phenyl)methanone::CHEMBL218404::US8580788, 59

SMILES: C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1

InChI Key: InChIKey=CJMYGZTZUKJGEF-XTQVGHSUSA-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 = 50199913   

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))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/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	2	-11.9	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/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	2	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	25	-10.4	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))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	180	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))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	190	-9.16	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/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	50	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))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/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	14	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50199913 (((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/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	2.10	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