SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.4
BDBM50305731

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

Found 8 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
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50305731 (CHEMBL604583 \| N,4-dimethyl-N-(2-(thiophene-3-carb...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Antagonist activity at C5a receptor in human PMNC assessed as inhibition of anaphylatoxin C5a-induced intracellular calcium accumulation after 10 min...				Bioorg Med Chem Lett 20: 662-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.058 BindingDB Entry DOI: 10.7270/Q2B8586C
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50305731 (CHEMBL604583 \| N,4-dimethyl-N-(2-(thiophene-3-carb...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Antagonist activity at human C5a receptor expressed in CHO cells co-expressed with Galpha16 assessed as inhibition of anaphylatoxin C5a-induced intra...				Bioorg Med Chem Lett 20: 662-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.058 BindingDB Entry DOI: 10.7270/Q2B8586C
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50305731 (CHEMBL604583 \| N,4-dimethyl-N-(2-(thiophene-3-carb...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [125I]human anaphylatoxin C5a from human C5a receptor expressed in CHO cells co-expressed with Galpha16 after 1 hr				Bioorg Med Chem Lett 20: 662-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.058 BindingDB Entry DOI: 10.7270/Q2B8586C
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Rattus norvegicus)	BDBM50305731 (CHEMBL604583 \| N,4-dimethyl-N-(2-(thiophene-3-carb...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Antagonist activity at C5a receptor in rat RAW264.7 cells assessed as inhibition of anaphylatoxin C5a-induced intracellular calcium accumulation afte...				Bioorg Med Chem Lett 20: 662-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.058 BindingDB Entry DOI: 10.7270/Q2B8586C
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50305731 (CHEMBL604583 \| N,4-dimethyl-N-(2-(thiophene-3-carb...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human P2Y2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 662-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.058 BindingDB Entry DOI: 10.7270/Q2B8586C
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50305731 (CHEMBL604583 \| N,4-dimethyl-N-(2-(thiophene-3-carb...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CXCR4 in human T cells				Bioorg Med Chem Lett 20: 662-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.058 BindingDB Entry DOI: 10.7270/Q2B8586C
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50305731 (CHEMBL604583 \| N,4-dimethyl-N-(2-(thiophene-3-carb...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CXCR3 in human T cells				Bioorg Med Chem Lett 20: 662-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.058 BindingDB Entry DOI: 10.7270/Q2B8586C
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50305731 (CHEMBL604583 \| N,4-dimethyl-N-(2-(thiophene-3-carb...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at human C5a receptor expressed in CHO cells co-expressed with Galpha16 assessed as effect on anaphylatoxin C5a-induced intracellula...				Bioorg Med Chem Lett 20: 662-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.058 BindingDB Entry DOI: 10.7270/Q2B8586C
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair