BDBM102409 US8536192, I-188

SMILES: OC(=O)c1cccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1

InChI Key: InChIKey=VKKQSVVXVBSGNM-PKIMVOHUSA-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 = 102409   

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))	BDBM102409 (US8536192, I-188) Show SMILES OC(=O)c1cccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C28H28N2O7/c31-19-7-6-15-11-20-28(36)12-18(25(33)29-17-3-1-2-16(10-17)26(34)35)22(32)24-27(28,21(15)23(19)37-24)8-9-30(20)13-14-4-5-14/h1-3,6-7,10,14,18,20,24,31,36H,4-5,8-9,11-13H2,(H,29,33)(H,34,35)/t18?,20-,24+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.01	-11.6	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))	BDBM102409 (US8536192, I-188) Show SMILES OC(=O)c1cccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C28H28N2O7/c31-19-7-6-15-11-20-28(36)12-18(25(33)29-17-3-1-2-16(10-17)26(34)35)22(32)24-27(28,21(15)23(19)37-24)8-9-30(20)13-14-4-5-14/h1-3,6-7,10,14,18,20,24,31,36H,4-5,8-9,11-13H2,(H,29,33)(H,34,35)/t18?,20-,24+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	17.3	-10.6	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