SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 435.8
BDBM50022788

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 12 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-lactamase TEM (Escherichia coli)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
CNRS-CERCOA Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 15 member 2 (Homo sapiens (Human))	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to human PepT2 in SKTP cells				Bioorg Med Chem 19: 4544-51 (2011) Article DOI: 10.1016/j.bmc.2011.06.027 BindingDB Entry DOI: 10.7270/Q2MP549P
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 15 member 2 (Rattus norvegicus)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biozentrum of the Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells				Eur J Pharm Biopharm 59: 17-24 (2004) Article DOI: 10.1016/j.ejpb.2004.07.008 BindingDB Entry DOI: 10.7270/Q2TT4S7H
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells				J Med Chem 48: 4410-9 (2005) Article DOI: 10.1021/jm048982w BindingDB Entry DOI: 10.7270/Q2Q24116
					More data for this Ligand-Target Pair
Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biozentrum of the Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cells				Eur J Pharm Biopharm 59: 17-24 (2004) Article DOI: 10.1016/j.ejpb.2004.07.008 BindingDB Entry DOI: 10.7270/Q2TT4S7H
					More data for this Ligand-Target Pair
SugE (Salmonella newport)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothin				Antimicrob Agents Chemother 53: 1256-9 (2009) Article DOI: 10.1128/AAC.01284-08 BindingDB Entry DOI: 10.7270/Q2V69JVP
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothin				Antimicrob Agents Chemother 53: 1256-9 (2009) Article DOI: 10.1128/AAC.01284-08 BindingDB Entry DOI: 10.7270/Q2V69JVP
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase ACC4				Antimicrob Agents Chemother 51: 3763-7 (2007) Article DOI: 10.1128/AAC.00389-07 BindingDB Entry DOI: 10.7270/Q2222THB
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
Wilkes University Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Rattus norvegicus)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair