BDBM50199938 3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-octahydro-1Hpyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL375119

SMILES: C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1

InChI Key: InChIKey=BWOMRDADNOYECR-ZHODDXKCSA-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 = 50199938   

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))	BDBM50199938 (3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...) Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r| Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/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	2.70	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))	BDBM50199938 (3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...) Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r| Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50199938 (3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...) Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r| Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	68	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))	BDBM50199938 (3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...) Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r| Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/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	1.20	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50199938 (3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...) Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r| Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/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	1.30	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))	BDBM50199938 (3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...) Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r| Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/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	28	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