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BDBM50238738 CHEMBL4060817

SMILES: COC(=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 = 50238738   
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))
BDBM50238738
PNG
(CHEMBL4060817)
Show SMILES COC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:12:13:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.22:13,20:18:15:22.21.13,20:21:15:19.17.18,(24.09,-23.74,;25.42,-22.97,;26.76,-23.74,;26.75,-25.28,;28.09,-22.97,;29.42,-23.74,;30.76,-22.97,;30.76,-21.43,;32.09,-20.66,;33.42,-21.42,;33.43,-22.97,;32.09,-23.74,;34.76,-20.65,;36.09,-21.41,;36.1,-22.9,;34.9,-24.17,;36.4,-23.76,;37.81,-24.32,;38.82,-23.04,;37.42,-23.39,;38.84,-21.51,;37.43,-20.94,;36.39,-22.17,;34.75,-19.11,;36.08,-18.34,;36.08,-16.8,;34.74,-16.04,;34.73,-14.5,;33.41,-16.82,;33.42,-18.36,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.430n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL




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