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BDBM50428550 CHEMBL2337514

SMILES: C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=GKWGLSVLWXPCQU-RBZFPXEDSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428550   
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
Androgen Receptor


(Homo sapiens (Human))
BDBM50428550
PNG
(CHEMBL2337514)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428550
PNG
(CHEMBL2337514)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/m0/s1
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428550
PNG
(CHEMBL2337514)
Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H21ClN4O2/c1-13-20(27,15-5-7-18(23-12-15)19(26)24(2)3)8-9-25(13)16-6-4-14(11-22)17(21)10-16/h4-7,10,12-13,27H,8-9H2,1-3H3/t13-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair