BDBM102412 US8536192, I-229

SMILES: CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1

InChI Key: InChIKey=VFZWXANKGZKMBN-JORSOQSHSA-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 = 102412   

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))	BDBM102412 (US8536192, I-229) Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:19:20:42.24.23:35.37.36,THB:21:20:42.24.23:35.37.36| Show InChI InChI=1S/C32H39N3O8S/c1-4-35(5-2)44(40,41)20-9-11-24(42-3)22(15-20)33-30(38)21-16-32(39)25-14-19-8-10-23(36)28-26(19)31(32,29(43-28)27(21)37)12-13-34(25)17-18-6-7-18/h8-11,15,18,21,25,29,36,39H,4-7,12-14,16-17H2,1-3H3,(H,33,38)/t21?,25-,29+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-12.1	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))	BDBM102412 (US8536192, I-229) Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:19:20:42.24.23:35.37.36,THB:21:20:42.24.23:35.37.36| Show InChI InChI=1S/C32H39N3O8S/c1-4-35(5-2)44(40,41)20-9-11-24(42-3)22(15-20)33-30(38)21-16-32(39)25-14-19-8-10-23(36)28-26(19)31(32,29(43-28)27(21)37)12-13-34(25)17-18-6-7-18/h8-11,15,18,21,25,29,36,39H,4-7,12-14,16-17H2,1-3H3,(H,33,38)/t21?,25-,29+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.90	-11.2	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