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BDBM50238739 CHEMBL4079644

SMILES: OCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1

InChI Key:

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 = 50238739   
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
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238739
PNG
(CHEMBL4079644)
Show SMILES OCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(47.7,-37.95,;49.03,-37.19,;50.36,-37.96,;51.7,-37.19,;53.03,-37.96,;53.03,-39.5,;54.36,-37.19,;55.7,-37.96,;57.03,-37.19,;57.03,-35.65,;58.36,-34.88,;59.7,-35.64,;59.7,-37.19,;58.37,-37.96,;61.03,-34.87,;62.37,-35.63,;62.37,-37.12,;61.18,-38.39,;62.67,-37.98,;64.08,-38.54,;65.09,-37.26,;63.69,-37.61,;65.11,-35.73,;63.71,-35.16,;62.67,-36.39,;61.02,-33.33,;62.36,-32.56,;62.35,-31.02,;61.01,-30.25,;61.01,-28.71,;59.68,-31.04,;59.69,-32.57,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.370n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant was evaluated against Histamine N-methyl-transferase


J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair