SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.4
BDBM50091438

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

Found 18 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
5-hydroxytryptamine receptor 1F (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1F receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1E receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D3 was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2B receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	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 CCR2 receptor				Bioorg Med Chem Lett 18: 1450-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.072 BindingDB Entry DOI: 10.7270/Q26T0MC4
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	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))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity of the compound at C-C chemokine receptor type 2 was determined				J Med Chem 46: 4070-86 (2003) Article DOI: 10.1021/jm030862l BindingDB Entry DOI: 10.7270/Q20C4V42
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity against C-C chemokine receptor type 2				Bioorg Med Chem Lett 10: 1803-6 (2000) BindingDB Entry DOI: 10.7270/Q2H70F2Z
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 7 receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 6 receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2C receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor was determined				Bioorg Med Chem Lett 11: 2177-80 (2001) BindingDB Entry DOI: 10.7270/Q2BP023S
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50091438 ((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5				Bioorg Med Chem Lett 10: 1803-6 (2000) BindingDB Entry DOI: 10.7270/Q2H70F2Z
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair