null

SMILES: C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=HOFYLOQXOAWJEX-UCNVEGJOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50199915   

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))	BDBM50199915 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-3-ylmet...) Show SMILES C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C22H29N3O/c1-17-14-25-10-9-24(15-18-5-4-8-23-13-18)16-20(25)12-22(17,2)19-6-3-7-21(26)11-19/h3-8,11,13,17,20,26H,9-10,12,14-16H2,1-2H3/t17-,20+,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	13	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))	BDBM50199915 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-3-ylmet...) Show SMILES C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C22H29N3O/c1-17-14-25-10-9-24(15-18-5-4-8-23-13-18)16-20(25)12-22(17,2)19-6-3-7-21(26)11-19/h3-8,11,13,17,20,26H,9-10,12,14-16H2,1-2H3/t17-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	400	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))	BDBM50199915 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-3-ylmet...) Show SMILES C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C22H29N3O/c1-17-14-25-10-9-24(15-18-5-4-8-23-13-18)16-20(25)12-22(17,2)19-6-3-7-21(26)11-19/h3-8,11,13,17,20,26H,9-10,12,14-16H2,1-2H3/t17-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	840	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))	BDBM50199915 (3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-3-ylmet...) Show SMILES C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C22H29N3O/c1-17-14-25-10-9-24(15-18-5-4-8-23-13-18)16-20(25)12-22(17,2)19-6-3-7-21(26)11-19/h3-8,11,13,17,20,26H,9-10,12,14-16H2,1-2H3/t17-,20+,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.5	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