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BDBM50000057 CHEMBL3228737

SMILES: [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(NCCCNC5CC(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

InChI Key: InChIKey=ASTJMSJCNFTIPI-VXXVAUPCNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000057   
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 beta'


(Escherichia coli K-12)
BDBM50000057
PNG
(CHEMBL3228737)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(NCCCNC5CC(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@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1/C74H109N14O17/c1-36(2)51-69(98)86-30-21-24-46(86)67(96)82(17)34-48(89)84(19)58(38(5)6)71(100)103-42(11)53(65(94)78-51)80-63(92)45-27-26-40(9)61-55(45)77-57-50(56(60(91)41(10)62(57)105-61)76-29-23-28-75-44-32-73(13,14)88(102)74(15,16)33-44)64(93)81-54-43(12)104-72(101)59(39(7)8)85(20)49(90)35-83(18)68(97)47-25-22-31-87(47)70(99)52(37(3)4)79-66(54)95/h26-27,36-39,42-44,46-47,51-54,58-59,75-76H,21-25,28-35H2,1-20H3,(H,78,94)(H,79,95)(H,80,92)(H,81,93)/t42-,43-,46+,47+,51-,52-,53+,54+,58+,59+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+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)


Article DOI: 10.1021/jm00195a008
BindingDB Entry DOI: 10.7270/Q2SQ91WG
More data for this
Ligand-Target Pair