BDBM50347460 CHEMBL1170455

SMILES: CCCCCCCOC1OC(CO)C(O)C(O)C1O

InChI Key: InChIKey=NIDYWHLDTIVRJT-UHFFFAOYSA-N

Data: 3 IC50  4 Kd

PDB links: 34 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50347460   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adhesin protein fimH (Escherichia coli (strain K12))	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/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
Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC))	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.71E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	65.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...				Bioorg Med Chem 19: 6454-73 (2011) Article DOI: 10.1016/j.bmc.2011.08.057 BindingDB Entry DOI: 10.7270/Q2416XGX
					More data for this Ligand-Target Pair
Adhesin protein fimH (Escherichia coli (strain K12))	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
LUNAM Universit£ Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K-12 FimH assessed as dissociation constant by SPR analysis				J Med Chem 56: 5395-406 (2014) Article DOI: 10.1021/jm400723n BindingDB Entry DOI: 10.7270/Q2NS0WBP
					More data for this Ligand-Target Pair
Adhesin protein fimH (Escherichia coli (strain K12))	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli J96 wild type FimH lectin domain expressed in Escherichia coli C43 (DE3) by reverse ITC analysis				J Med Chem 57: 1416-27 (2014) Article DOI: 10.1021/jm401666c BindingDB Entry DOI: 10.7270/Q2GX4D2N
					More data for this Ligand-Target Pair
FimH (Escherichia coli)	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
LUNAM Universit£ Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli FimH assessed as dissociation constant by ITC analysis				J Med Chem 56: 5395-406 (2014) Article DOI: 10.1021/jm400723n BindingDB Entry DOI: 10.7270/Q2NS0WBP
					More data for this Ligand-Target Pair
Adhesin protein fimH (Escherichia coli (strain K12))	BDBM50347460 (CHEMBL1170455) Show SMILES CCCCCCCOC1OC(CO)C(O)C(O)C1O Show InChI InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli J96 wild type FimH lectin domain expressed in Escherichia coli C43 (DE3) by direct ITC analysis				J Med Chem 57: 1416-27 (2014) Article DOI: 10.1021/jm401666c BindingDB Entry DOI: 10.7270/Q2GX4D2N
					More data for this Ligand-Target Pair