BDBM102420 US8536192, I-286

SMILES: COCC(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=SAPIHPLOSWDXFG-MUWVEXSBSA-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 = 102420   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM102420 (US8536192, I-286) Show SMILES COCC(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27| Show InChI InChI=1S/C26H34N2O6/c1-24(2,13-33-3)27-23(31)16-11-26(32)18-10-15-6-7-17(29)21-19(15)25(26,22(34-21)20(16)30)8-9-28(18)12-14-4-5-14/h6-7,14,16,18,22,29,32H,4-5,8-13H2,1-3H3,(H,27,31)/t16?,18-,22+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.46	-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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102420 (US8536192, I-286) Show SMILES COCC(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27| Show InChI InChI=1S/C26H34N2O6/c1-24(2,13-33-3)27-23(31)16-11-26(32)18-10-15-6-7-17(29)21-19(15)25(26,22(34-21)20(16)30)8-9-28(18)12-14-4-5-14/h6-7,14,16,18,22,29,32H,4-5,8-13H2,1-3H3,(H,27,31)/t16?,18-,22+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.0	-10.7	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