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BDBM50214607 CHEMBL541423::MK-24::MK-24(S)-S(O)(NH)Ph

SMILES: C[C@H](CC=S(N)(=O)c1ccccc1)C1=CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

InChI Key: InChIKey=LBIGDGSFZNAQAP-RKGHGREQSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50214607   
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
Cytochrome P450 27B1


(Homo sapiens (Human))
BDBM50214607
PNG
(CHEMBL541423 | MK-24 | MK-24(S)-S(O)(NH)Ph)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)C1=CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-13,17,20,24,27-28,31-32H,2,7-8,14-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,27?,28+,29-,34?/m1/s1
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Article
PubMed
n/an/a 554n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP27B1


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50214607
PNG
(CHEMBL541423 | MK-24 | MK-24(S)-S(O)(NH)Ph)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)C1=CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-13,17,20,24,27-28,31-32H,2,7-8,14-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,27?,28+,29-,34?/m1/s1
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Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP24


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens (Human))
BDBM50214607
PNG
(CHEMBL541423 | MK-24 | MK-24(S)-S(O)(NH)Ph)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)C1=CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-13,17,20,24,27-28,31-32H,2,7-8,14-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,27?,28+,29-,34?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP27A1


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair