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SMILES: [H][C@@]12C(=O)N(C(=O)[C@]1([H])[C@]1(C)O[C@@]2(C)C[C@H]1O)c1ccc(C#N)c(I)c1

InChI Key:

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 = 50598599   
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))
BDBM50598599
PNG
(CHEMBL5186213)
Show SMILES [H][C@@]12C(=O)N(C(=O)[C@]1([H])[C@]1(C)O[C@@]2(C)C[C@H]1O)c1ccc(C#N)c(I)c1 |r,TLB:2:1:14.15:11,16:15:1.7:11|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50598599
PNG
(CHEMBL5186213)
Show SMILES [H][C@@]12C(=O)N(C(=O)[C@]1([H])[C@]1(C)O[C@@]2(C)C[C@H]1O)c1ccc(C#N)c(I)c1 |r,TLB:2:1:14.15:11,16:15:1.7:11|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H
More data for this
Ligand-Target Pair