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5 similar compounds to monomer 50347457

Compile data set for download or QSAR
Wt: 459.2
BDBM50347451
Wt: 375.3
BDBM50347453
Wt: 424.8
BDBM50347455
Wt: 444.2
BDBM50347456
Wt: 376.3
BDBM50399362

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50347451,50347453,50347455,50347456,50399362   
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
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347451
PNG
(CHEMBL1802191)
Show SMILES COC(=O)c1ccc(cc1)-c1c(Cl)cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1Cl
Show InChI InChI=1S/C20H20Cl2O8/c1-28-19(27)10-4-2-9(3-5-10)15-12(21)6-11(7-13(15)22)29-20-18(26)17(25)16(24)14(8-23)30-20/h2-7,14,16-18,20,23-26H,8H2,1H3/t14-,16-,17+,18+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15.3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347453
PNG
(CHEMBL1802186)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-7-5-11(6-8-13)10-1-3-12(4-2-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/p-1/t14-,15-,16+,17+,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17.1n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347455
PNG
(CHEMBL1802188)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1Cl
Show InChI InChI=1S/C20H21ClO8/c1-27-19(26)11-4-2-10(3-5-11)13-7-6-12(8-14(13)21)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
C-type lectin domain family 4 member C


(Homo sapiens (Human))
BDBM50399362
PNG
(CHEMBL1852236)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2)-c2ccc(cc2)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-7-5-11(6-8-13)10-1-3-12(4-2-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/t14-,15-,16+,17+,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Displacement of biotinylated-TM PAA from human DLEC after 3 hrs by colorimetry


J Med Chem 55: 9810-6 (2012)


Article DOI: 10.1021/jm3010338
BindingDB Entry DOI: 10.7270/Q2RV0PT3
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347455
PNG
(CHEMBL1802188)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1Cl
Show InChI InChI=1S/C20H21ClO8/c1-27-19(26)11-4-2-10(3-5-11)13-7-6-12(8-14(13)21)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Type 1 fimbiral adhesin FimH


(Escherichia coli (strain UTI89 / UPEC))
BDBM50347453
PNG
(CHEMBL1802186)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-7-5-11(6-8-13)10-1-3-12(4-2-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/p-1/t14-,15-,16+,17+,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometr...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50347456
PNG
(CHEMBL1802192)
Show SMILES OC[C@H]1O[C@H](Oc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C19H18Cl2O8/c20-11-5-10(28-19-17(25)16(24)15(23)13(7-22)29-19)6-12(21)14(11)8-1-3-9(4-2-8)18(26)27/h1-6,13,15-17,19,22-25H,7H2,(H,26,27)/p-1/t13-,15-,16+,17+,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23.9n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...


J Med Chem 53: 8627-41 (2010)


Article DOI: 10.1021/jm101011y
BindingDB Entry DOI: 10.7270/Q2Z32003
More data for this
Ligand-Target Pair