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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for UniProtKB: P0A8V2   
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-directed RNA polymerase subunit alpha/beta/beta'/omega


(Escherichia coli K-12)
BDBM50000054
PNG
(CHEMBL3228735)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(NC5CC(C)(C)[N+]([O-])C(C)(C)C5)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C |r,wU:12.13,8.107,51.53,46.48,1.0,wD:45.46,72.79,87.94,82.89,64.66,^1:35,(36.21,-4.82,;37.96,-4.15,;36.92,-3.01,;37.68,-1.67,;39.19,-1.98,;39.37,-3.5,;40.71,-4.27,;40.71,-5.81,;42.04,-3.5,;43.37,-4.27,;45.91,-10.38,;47.24,-11.15,;44.57,-11.13,;44.56,-12.67,;45.89,-13.46,;47.22,-12.69,;45.88,-15,;44.55,-15.75,;44.53,-17.29,;45.86,-18.08,;45.84,-19.62,;47.2,-17.31,;48.52,-18.08,;49.85,-17.33,;51.16,-18.1,;51.14,-19.65,;52.48,-17.34,;53.82,-18.12,;52.49,-15.82,;53.82,-15.05,;55.16,-15.82,;55.15,-17.35,;56.47,-18.11,;57.24,-19.44,;55.7,-19.44,;57.81,-17.36,;59.14,-18.13,;57.81,-15.81,;58.9,-14.72,;59.31,-16.21,;56.48,-15.04,;51.16,-15.05,;51.18,-13.51,;49.86,-12.74,;52.52,-12.74,;52.52,-11.2,;53.86,-10.43,;53.87,-8.91,;55.19,-11.22,;56.53,-10.45,;56.53,-8.91,;57.86,-11.22,;57.85,-12.76,;59.19,-13.53,;56.52,-13.53,;59.2,-10.45,;60.53,-11.24,;59.21,-8.91,;57.87,-8.14,;60.54,-8.16,;60.54,-6.6,;61.9,-5.85,;59.21,-5.83,;57.88,-6.6,;59.23,-4.29,;60.88,-5.16,;60.49,-3.4,;60.01,-1.93,;58.47,-1.93,;57.99,-3.38,;56.65,-4.15,;56.65,-5.69,;55.32,-3.38,;53.98,-4.13,;51.19,-10.43,;49.86,-11.19,;55.32,-1.82,;53.99,-1.05,;56.66,-1.05,;49.86,-15.8,;48.53,-15.03,;47.21,-15.77,;43.24,-10.36,;43.25,-8.82,;41.9,-11.12,;40.57,-10.34,;40.59,-8.8,;39.24,-11.1,;39.22,-12.64,;40.55,-13.42,;37.89,-13.39,;37.9,-10.31,;36.57,-11.08,;37.91,-8.77,;39.26,-8.02,;36.58,-8,;36.6,-6.46,;35.27,-5.67,;37.95,-5.69,;39.26,-6.46,;42.02,-1.96,;43.36,-1.19,;40.69,-1.19,)|
Show InChI InChI=1S/C71H102N13O17/c1-33(2)48-66(94)82-27-21-23-43(82)64(92)78(17)31-45(85)80(19)55(35(5)6)68(96)99-39(11)50(62(90)74-48)76-60(88)42-26-25-37(9)58-52(42)73-54-47(53(57(87)38(10)59(54)101-58)72-41-29-70(13,14)84(98)71(15,16)30-41)61(89)77-51-40(12)100-69(97)56(36(7)8)81(20)46(86)32-79(18)65(93)44-24-22-28-83(44)67(95)49(34(3)4)75-63(51)91/h25-26,33-36,39-41,43-44,48-51,55-56,72H,21-24,27-32H2,1-20H3,(H,74,90)(H,75,91)(H,76,88)(H,77,89)/t39-,40-,43+,44+,48-,49-,50+,51+,55+,56+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA-dependent RNA polymerase


J Med Chem 22: 1051-5 (1979)


BindingDB Entry DOI: 10.7270/Q2SQ91WG
More data for this
Ligand-Target Pair