BDBM50199920 3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-chlorobenzyl)-octahydro-1H-pyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL373641

SMILES: C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=LTVYTGKUKGQIAM-AMHTUMDSSA-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 = 50199920   

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))	BDBM50199920 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-chlorobenzyl)...) Show SMILES C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-10-9-25(15-18-5-3-7-20(24)11-18)16-21(26)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,21,27H,9-10,13-16H2,1-2H3/t17-,21+,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	1.5	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50199920 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-chlorobenzyl)...) Show SMILES C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-10-9-25(15-18-5-3-7-20(24)11-18)16-21(26)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,21,27H,9-10,13-16H2,1-2H3/t17-,21+,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	83	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))	BDBM50199920 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-chlorobenzyl)...) Show SMILES C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-10-9-25(15-18-5-3-7-20(24)11-18)16-21(26)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,21,27H,9-10,13-16H2,1-2H3/t17-,21+,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	360	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50199920 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-chlorobenzyl)...) Show SMILES C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-10-9-25(15-18-5-3-7-20(24)11-18)16-21(26)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,21,27H,9-10,13-16H2,1-2H3/t17-,21+,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	1.80	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