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BDBM50447758 CHEBI:9287::NSC-45383::Nigrin::Rufocromomycin::STREPTONIGRIN::Streptonigrin

SMILES: COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O

InChI Key: InChIKey=PVYJZLYGTZKPJE-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50447758   
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
DNA repair and recombination protein RAD54-like


(Homo sapiens)
BDBM50447758
PNG
(CHEBI:9287 | NSC-45383 | Nigrin | Rufocromomycin |...)
Show SMILES COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O
Show InChI InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
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n/an/an/an/a 1.65E+4n/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RAD54 (unknown origin) ATPase activity assessed as generation of reactive oxygen species


Bioorg Med Chem Lett 24: 3006-13 (2014)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens)
BDBM50447758
PNG
(CHEBI:9287 | NSC-45383 | Nigrin | Rufocromomycin |...)
Show SMILES COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O
Show InChI InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
PDB
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KEGG

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B.MOAD
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD4 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-1


(Homo sapiens)
BDBM50447758
PNG
(CHEBI:9287 | NSC-45383 | Nigrin | Rufocromomycin |...)
Show SMILES COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O
Show InChI InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
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PubMed
n/an/a 4.83E+4n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD1 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by su...


Bioorg Med Chem 22: 1362-9 (2014)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens)
BDBM50447758
PNG
(CHEBI:9287 | NSC-45383 | Nigrin | Rufocromomycin |...)
Show SMILES COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O
Show InChI InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
PDB

KEGG

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n/an/a 2.61E+4n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-3


(Homo sapiens)
BDBM50447758
PNG
(CHEBI:9287 | NSC-45383 | Nigrin | Rufocromomycin |...)
Show SMILES COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O
Show InChI InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 430n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD3 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by su...


Bioorg Med Chem 22: 1362-9 (2014)

More data for this
Ligand-Target Pair