BDBM102413 US8536192, I-240

SMILES: Cc1cc(=O)[nH]c2cc(NC(=O)C3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](C3=O)[C@]4(CCN5CC3CC3)c67)ccc12

InChI Key: InChIKey=MNKNMTGWEYFJEH-VJPISLKHSA-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 = 102413   

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))	BDBM102413 (US8536192, I-240) Show SMILES Cc1cc(=O)[nH]c2cc(NC(=O)C3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](C3=O)[C@]4(CCN5CC3CC3)c67)ccc12 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30| Show InChI InChI=1S/C31H31N3O6/c1-15-10-24(36)33-21-12-18(5-6-19(15)21)32-29(38)20-13-31(39)23-11-17-4-7-22(35)27-25(17)30(31,28(40-27)26(20)37)8-9-34(23)14-16-2-3-16/h4-7,10,12,16,20,23,28,35,39H,2-3,8-9,11,13-14H2,1H3,(H,32,38)(H,33,36)/t20?,23-,28+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.85	-11.1	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM102413 (US8536192, I-240) Show SMILES Cc1cc(=O)[nH]c2cc(NC(=O)C3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](C3=O)[C@]4(CCN5CC3CC3)c67)ccc12 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30| Show InChI InChI=1S/C31H31N3O6/c1-15-10-24(36)33-21-12-18(5-6-19(15)21)32-29(38)20-13-31(39)23-11-17-4-7-22(35)27-25(17)30(31,28(40-27)26(20)37)8-9-34(23)14-16-2-3-16/h4-7,10,12,16,20,23,28,35,39H,2-3,8-9,11,13-14H2,1H3,(H,32,38)(H,33,36)/t20?,23-,28+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11.5	-10.8	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