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BDBM50366387 STREPTOMYCIN

SMILES: [#6]-[#7]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#6]-[#8])-[#8]-[#6@H]-1-[#8]-[#6@H]1-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](/[#7])-[#7])-[#8]-[#6@@H](-[#6])[C@]1([#8])[#6]=O

InChI Key: InChIKey=UCSJYZPVAKXKNQ-ZCTIVXDHSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50366387   
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
protein-arginine deiminase type-4


(Homo sapiens)
BDBM50366387
PNG
(STREPTOMYCIN)
Show SMILES CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]2N=C(N)N)O[C@@H](C)[C@]1(O)C=O
Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.60E+5n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of PAD4 measured by slope plot of Lineweaver-Burke analyses


Bioorg Med Chem 16: 739-45 (2008)

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


(Homo sapiens)
BDBM50366387
PNG
(STREPTOMYCIN)
Show SMILES CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]2N=C(N)N)O[C@@H](C)[C@]1(O)C=O
Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+6n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of PAD4 by ABPP-based assay


Bioorg Med Chem 16: 739-45 (2008)

More data for this
Ligand-Target Pair