BDBM50199937 2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2-R]pyrazin-2(6H)-yl)methyl)phenol::CHEMBL218242

SMILES: C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=VOSOSNSMMSOIES-XTQVGHSUSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50199937   

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))	BDBM50199937 (2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimeth...) Show SMILES C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-3-4-9-22(18)27)16-20(25)13-23(17,2)19-7-5-8-21(26)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/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	1.80	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50199937 (2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimeth...) Show SMILES C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-3-4-9-22(18)27)16-20(25)13-23(17,2)19-7-5-8-21(26)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/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	76	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50199937 (2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimeth...) Show SMILES C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-3-4-9-22(18)27)16-20(25)13-23(17,2)19-7-5-8-21(26)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/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	300	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))	BDBM50199937 (2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimeth...) Show SMILES C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-3-4-9-22(18)27)16-20(25)13-23(17,2)19-7-5-8-21(26)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/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	9.40	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))	BDBM50199937 (2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimeth...) Show SMILES C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-3-4-9-22(18)27)16-20(25)13-23(17,2)19-7-5-8-21(26)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/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	1.60	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50199937 (2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimeth...) Show SMILES C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-3-4-9-22(18)27)16-20(25)13-23(17,2)19-7-5-8-21(26)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/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	570	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