BDBM50492099 CHEMBL2396991

SMILES: [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]13OCCO[C@@]21Nc1ccc(F)c(OC)c31)C(=C/OC)\C(=O)OC

InChI Key: InChIKey=VDHVQTLHHZZTMJ-GWNIIIPKSA-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 = 50492099   

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 (Homo sapiens (Human))	BDBM50492099 (CHEMBL2396991) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]13OCCO[C@@]21Nc1ccc(F)c(OC)c31)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C25H33FN2O6/c1-5-15-13-28-9-8-24-21-19(7-6-18(26)22(21)31-3)27-25(24,34-11-10-33-24)20(28)12-16(15)17(14-30-2)23(29)32-4/h6-7,14-16,20,27H,5,8-13H2,1-4H3/b17-14+/t15-,16+,20+,24+,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor (unknown origin)				J Med Chem 56: 4840-8 (2013) Article DOI: 10.1021/jm400143z BindingDB Entry DOI: 10.7270/Q2FT8PZS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492099 (CHEMBL2396991) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]13OCCO[C@@]21Nc1ccc(F)c(OC)c31)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C25H33FN2O6/c1-5-15-13-28-9-8-24-21-19(7-6-18(26)22(21)31-3)27-25(24,34-11-10-33-24)20(28)12-16(15)17(14-30-2)23(29)32-4/h6-7,14-16,20,27H,5,8-13H2,1-4H3/b17-14+/t15-,16+,20+,24+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor (unknown origin)				J Med Chem 56: 4840-8 (2013) Article DOI: 10.1021/jm400143z BindingDB Entry DOI: 10.7270/Q2FT8PZS
					More data for this Ligand-Target Pair