SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 532.5
BDBM50292638

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

Found 7 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
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
Johnson& Johnson PRD Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
Johnson& Johnson PRD Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
Johnson& Johnson PRD Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M1 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
Johnson& Johnson PRD Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M3 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
Johnson& Johnson PRD Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M1 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
Johnson& Johnson PRD Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M2 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
Johnson& Johnson PRD Curated by ChEMBL					More data for this Ligand-Target Pair