BDBM102405 US8536192, I-133

SMILES: COC(=O)C1(CCCC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O

InChI Key: InChIKey=WKHWASYAMPTDBQ-TUFAMUHWSA-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 = 102405   

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))	BDBM102405 (US8536192, I-133) Show SMILES COC(=O)C1(CCCC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:13,TLB:23:22:30:18.19.20| Show InChI InChI=1S/C28H34N2O7/c1-36-25(34)26(8-2-3-9-26)29-24(33)17-13-28(35)19-12-16-6-7-18(31)22-20(16)27(28,23(37-22)21(17)32)10-11-30(19)14-15-4-5-15/h6-7,15,19,23,31-32,35H,2-5,8-14H2,1H3,(H,29,33)/t19-,23+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.99	-11.3	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
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102405 (US8536192, I-133) Show SMILES COC(=O)C1(CCCC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:13,TLB:23:22:30:18.19.20| Show InChI InChI=1S/C28H34N2O7/c1-36-25(34)26(8-2-3-9-26)29-24(33)17-13-28(35)19-12-16-6-7-18(31)22-20(16)27(28,23(37-22)21(17)32)10-11-30(19)14-15-4-5-15/h6-7,15,19,23,31-32,35H,2-5,8-14H2,1H3,(H,29,33)/t19-,23+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.85	-10.9	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