BDBM102402 US8536192, I-122

SMILES: OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)NS(=O)(=O)c1cccc(Cl)c1

InChI Key: InChIKey=IGOJPKHASIKKDA-GYHUNEDQSA-N

Data: 1 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 1 hit for monomerid = 102402   

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))	BDBM102402 (US8536192, I-122) Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)NS(=O)(=O)c1cccc(Cl)c1 |r,t:1,THB:20:19:4:24.8.7| Show InChI InChI=1S/C27H27ClN2O7S/c28-16-2-1-3-17(11-16)38(35,36)29-25(33)18-12-27(34)20-10-15-6-7-19(31)23-21(15)26(27,24(37-23)22(18)32)8-9-30(20)13-14-4-5-14/h1-3,6-7,11,14,20,24,31-32,34H,4-5,8-10,12-13H2,(H,29,33)/t20-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-11.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair