BindingDB logo
myBDB logout

BDBM50194398 CHEMBL384366::[(9H-fluoren-9-ylmethoxycarbonylamino)]-phenyl-acetic acid (3S,4aR,4bS,6S,8R,8aS,10aR)-6-acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthren-8-ylmethyl ester

SMILES: CC(=O)O[C@H]1C[C@@H](COC(=O)C(NC(=O)OCC2c3ccccc3-c3ccccc23)c2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=VQFQDVUTAWAJAQ-JZRMPFOYSA-N

Data: 1 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 1 hit for monomerid = 50194398   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50194398
PNG
(CHEMBL384366 | [(9H-fluoren-9-ylmethoxycarbonylami...)
Show SMILES CC(=O)O[C@H]1C[C@@H](COC(=O)C(NC(=O)OCC2c3ccccc3-c3ccccc23)c2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C45H45NO10/c1-26(47)55-36-21-29(44(2)19-17-35-41(49)56-37(28-18-20-52-23-28)22-45(35,3)40(44)39(36)48)24-53-42(50)38(27-11-5-4-6-12-27)46-43(51)54-25-34-32-15-9-7-13-30(32)31-14-8-10-16-33(31)34/h4-16,18,20,23,29,34-38,40H,17,19,21-22,24-25H2,1-3H3,(H,46,51)/t29-,35-,36-,37-,38?,40-,44-,45-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5498-502 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.051
BindingDB Entry DOI: 10.7270/Q2QN66CC
More data for this
Ligand-Target Pair