BDBM50451825 CHEMBL2113393

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

InChI Key: InChIKey=KFBBAOVFDAYCBL-QIAYLYMNSA-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 = 50451825   

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))	BDBM50451825 (CHEMBL2113393) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O)ccc3O |r,c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C22H25NO8/c1-23-7-6-22-10-3-5-13(29-21-16(26)15(25)18(31-21)20(27)28)19(22)30-17-12(24)4-2-9(14(17)22)8-11(10)23/h2-5,10-11,13,15-16,18-19,21,24-26H,6-8H2,1H3,(H,27,28)/t10-,11+,13-,15-,16+,18-,19-,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	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))	BDBM50451825 (CHEMBL2113393) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O)ccc3O |r,c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C22H25NO8/c1-23-7-6-22-10-3-5-13(29-21-16(26)15(25)18(31-21)20(27)28)19(22)30-17-12(24)4-2-9(14(17)22)8-11(10)23/h2-5,10-11,13,15-16,18-19,21,24-26H,6-8H2,1H3,(H,27,28)/t10-,11+,13-,15-,16+,18-,19-,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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