null

SMILES: C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O

InChI Key: InChIKey=DSFSXBHSUAETCR-AVRWGWEMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136603   

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))	BDBM50136603 (3-[(3R,4R)-1-(4-tert-Butyl-benzyl)-3,4-dimethyl-pi...) Show SMILES C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O Show InChI InChI=1S/C25H34N2O/c1-18-16-27(17-19-9-11-21(12-10-19)24(2,3)4)14-13-25(18,5)22-8-6-7-20(15-22)23(26)28/h6-12,15,18H,13-14,16-17H2,1-5H3,(H2,26,28)/t18-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor				Bioorg Med Chem Lett 13: 4459-62 (2003) BindingDB Entry DOI: 10.7270/Q2RV0P7G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50136603 (3-[(3R,4R)-1-(4-tert-Butyl-benzyl)-3,4-dimethyl-pi...) Show SMILES C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O Show InChI InChI=1S/C25H34N2O/c1-18-16-27(17-19-9-11-21(12-10-19)24(2,3)4)14-13-25(18,5)22-8-6-7-20(15-22)23(26)28/h6-12,15,18H,13-14,16-17H2,1-5H3,(H2,26,28)/t18-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.				Bioorg Med Chem Lett 13: 4459-62 (2003) BindingDB Entry DOI: 10.7270/Q2RV0P7G
					More data for this Ligand-Target Pair