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BDBM50398195 CHEMBL2177238

SMILES: CN1C(=O)N(C(=O)[C@@]1(C)c1ccc(O)cc1)c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=IHPVXUVRRPAUIQ-GOSISDBHSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50398195   
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))
BDBM50398195
PNG
(CHEMBL2177238)
Show SMILES CN1C(=O)N(C(=O)[C@@]1(C)c1ccc(O)cc1)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-18(12-4-7-14(26)8-5-12)16(27)25(17(28)24(18)2)13-6-3-11(10-23)15(9-13)19(20,21)22/h3-9,26H,1-2H3/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



GALAPAGOS, Parc Biocitech

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by competitive binding assay


J Med Chem 55: 8225-35 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50398195
PNG
(CHEMBL2177238)
Show SMILES CN1C(=O)N(C(=O)[C@@]1(C)c1ccc(O)cc1)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-18(12-4-7-14(26)8-5-12)16(27)25(17(28)24(18)2)13-6-3-11(10-23)15(9-13)19(20,21)22/h3-9,26H,1-2H3/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



GALAPAGOS, Parc Biocitech

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor by competitive binding assay


J Med Chem 55: 8225-35 (2012)

More data for this
Ligand-Target Pair