BDBM50451826 CHEMBL2112797

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O

InChI Key: InChIKey=FGEXYJIHXVZJMD-RCXAFONISA-N

Data: 2 KI

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 2 hits for monomerid = 50451826   

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 (Rattus norvegicus (rat))	BDBM50451826 (CHEMBL2112797) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451826 (CHEMBL2112797) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair