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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50456363   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50456363
PNG
(CHEMBL4210737)
Show SMILES [H][C@@]12C[C@@]11C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=CC[C@@]3([H])[C@]1([H])C2)c1cccnc1 |r,c:19|
Show InChI InChI=1S/C25H33NO/c1-23-9-8-22-19(21(23)6-5-20(23)16-4-3-11-26-15-16)12-17-13-25(17)14-18(27)7-10-24(22,25)2/h3-5,11,15,17-19,21-22,27H,6-10,12-14H2,1-2H3/t17-,18+,19+,21+,22+,23-,24-,25-/m1/s1
PDB

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UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli DH5alpha assessed as decrease in progester...


J Med Chem 61: 4946-4960 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00419
BindingDB Entry DOI: 10.7270/Q2D2217B
More data for this
Ligand-Target Pair
Steroid 21-hydroxylase


(Homo sapiens (Human))
BDBM50456363
PNG
(CHEMBL4210737)
Show SMILES [H][C@@]12C[C@@]11C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=CC[C@@]3([H])[C@]1([H])C2)c1cccnc1 |r,c:19|
Show InChI InChI=1S/C25H33NO/c1-23-9-8-22-19(21(23)6-5-20(23)16-4-3-11-26-15-16)12-17-13-25(17)14-18(27)7-10-24(22,25)2/h3-5,11,15,17-19,21-22,27H,6-10,12-14H2,1-2H3/t17-,18+,19+,21+,22+,23-,24-,25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged recombinant human CYP21A2deltaH mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesteron...


J Med Chem 61: 4946-4960 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00419
BindingDB Entry DOI: 10.7270/Q2D2217B
More data for this
Ligand-Target Pair