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BDBM50396027 CHEMBL499593

SMILES: CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)n1cc(C[C@]23SS[C@](CO)(N(C)C2=O)C(=O)N3C)c2ccccc12

InChI Key: InChIKey=ZRZWBWPDBOVIGQ-YWZWRZHGSA-N

Data: 3 IC50

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 3 hits for monomerid = 50396027   
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
Histone-lysine N-methyltransferase SUV39H1


(Homo sapiens (Human))
BDBM50396027
PNG
(CHEMBL499593)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)n1cc(C[C@]23SS[C@](CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 |r,TLB:17:16:1.2:21.22,7:15:1.2:21.22|
Show InChI InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1
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MCE
PC cid
PC sid
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Article
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n/an/a 66n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SUV39H1


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50396027
PNG
(CHEMBL499593)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)n1cc(C[C@]23SS[C@](CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 |r,TLB:17:16:1.2:21.22,7:15:1.2:21.22|
Show InChI InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1
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antibodypedia
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
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n/an/a 540n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HIF-1alpha/p300 protein-protein interaction in human cells after 2 hrs by immunoprecipitation assay


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50396027
PNG
(CHEMBL499593)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)n1cc(C[C@]23SS[C@](CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 |r,TLB:17:16:1.2:21.22,7:15:1.2:21.22|
Show InChI InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of G9a


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair