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Compile Data Set for Download or QSAR

Found 5 hits from Dainippon Pharmaceutical Co. Ltd.   
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 Gyrase


(Escherichia coli (strain K12))
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 408n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase


J Med Chem 47: 3693-6 (2004)

More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50366822
PNG
(AT-4140 | CI-978 | SPARFLOXACIN | Spara)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 637n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase


J Med Chem 47: 3693-6 (2004)

More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50223597
PNG
(CHEMBL95777)
Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1
Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase


J Med Chem 47: 3693-6 (2004)

More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50474677
PNG
(CHEMBL122665)
Show SMILES Clc1cccc(c1)-n1nc(cc1-c1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C24H22ClN3/c25-21-6-3-7-22(15-21)28-24(16-23(27-28)18-10-12-26-13-11-18)20-9-8-17-4-1-2-5-19(17)14-20/h1-9,14-16,18,26H,10-13H2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 8.24E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase


J Med Chem 47: 3693-6 (2004)

More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50223588
PNG
(CHEMBL330372 | DNDI1417460)
Show SMILES C(Oc1ccc(cc1)-c1cc([nH]n1)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-2-4-16(5-3-1)15-25-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-22-13-11-18/h1-9,14,18,22H,10-13,15H2,(H,23,24)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>3.83E+5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase


J Med Chem 47: 3693-6 (2004)

More data for this
Ligand-Target Pair