SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.5
BDBM50187033

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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to CCR2 in human monocytes				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Antagonist activity at human CCR2b receptor				Bioorg Med Chem Lett 18: 1323-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.023 BindingDB Entry DOI: 10.7270/Q2SN08Q1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against CCR2 assessed as inhibition of MCP1-induced calcium flux in human monocytes				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK1 receptor				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to CCR8				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to CCR5				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to CCR1				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to CCR3				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK2 receptor				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50187033 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to CCR4				Bioorg Med Chem Lett 16: 3735-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.045 BindingDB Entry DOI: 10.7270/Q2N01645
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair