BDBM50199953 1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2-R]pyrazin-2(6H)-yl)-2-phenylethanone::CHEMBL218135

SMILES: C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1

InChI Key: InChIKey=JVMCXCLDIPSMCE-SNYIIPAISA-N

Data: 3 KI  1 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 4 hits for monomerid = 50199953   

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))	BDBM50199953 (1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethy...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C24H30N2O2/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3/t18-,21+,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	17	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))	BDBM50199953 (1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethy...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C24H30N2O2/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3/t18-,21+,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	71	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))	BDBM50199953 (1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethy...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C24H30N2O2/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3/t18-,21+,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	540	n/a	n/a	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50199953 (1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethy...) Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C24H30N2O2/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3/t18-,21+,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	6.70	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