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BDBM50238735 CHEMBL4100247

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

InChI Key:

Data: 1 KI  1 IC50

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 = 50238735   
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))
BDBM50238735
PNG
(CHEMBL4100247)
Show SMILES OCCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(2.2,-41.25,;3.53,-42.02,;4.87,-41.26,;6.2,-42.03,;7.54,-41.27,;8.87,-42.04,;10.2,-41.28,;11.53,-42.05,;11.53,-43.59,;12.88,-41.29,;14.21,-42.06,;15.54,-41.29,;15.55,-39.74,;16.87,-38.97,;18.21,-39.74,;18.21,-41.29,;16.88,-42.06,;19.54,-38.96,;20.88,-39.73,;20.88,-41.22,;19.69,-42.49,;21.18,-42.08,;22.59,-42.63,;23.6,-41.36,;22.21,-41.7,;23.62,-39.83,;22.22,-39.26,;21.18,-40.48,;19.53,-37.42,;20.87,-36.66,;20.86,-35.12,;19.53,-34.35,;19.52,-32.81,;18.19,-35.13,;18.2,-36.67,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.650n/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
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50238735
PNG
(CHEMBL4100247)
Show SMILES OCCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(2.2,-41.25,;3.53,-42.02,;4.87,-41.26,;6.2,-42.03,;7.54,-41.27,;8.87,-42.04,;10.2,-41.28,;11.53,-42.05,;11.53,-43.59,;12.88,-41.29,;14.21,-42.06,;15.54,-41.29,;15.55,-39.74,;16.87,-38.97,;18.21,-39.74,;18.21,-41.29,;16.88,-42.06,;19.54,-38.96,;20.88,-39.73,;20.88,-41.22,;19.69,-42.49,;21.18,-42.08,;22.59,-42.63,;23.6,-41.36,;22.21,-41.7,;23.62,-39.83,;22.22,-39.26,;21.18,-40.48,;19.53,-37.42,;20.87,-36.66,;20.86,-35.12,;19.53,-34.35,;19.52,-32.81,;18.19,-35.13,;18.2,-36.67,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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