BindingDB PrimarySearch

BDBM50322650 (S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidinopentanoic acid::CHEMBL389348::N2-[(2,2-diphenylethoxy)acetyl]-L-arginine::SB-290157

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=O

InChI Key: InChIKey=RRKKJYBCPXAJAO-IBGZPJMESA-N

Data: 14 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50322650
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR assay				J Med Chem 57: 8459-70 (2014) Article DOI: 10.1021/jm500956p BindingDB Entry DOI: 10.7270/Q21R6S3N
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR assay				J Med Chem 57: 8459-70 (2014) Article DOI: 10.1021/jm500956p BindingDB Entry DOI: 10.7270/Q21R6S3N
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method				J Med Chem 57: 8459-70 (2014) Article DOI: 10.1021/jm500956p BindingDB Entry DOI: 10.7270/Q21R6S3N
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method				J Med Chem 57: 8459-70 (2014) Article DOI: 10.1021/jm500956p BindingDB Entry DOI: 10.7270/Q21R6S3N
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
UCB Global Chemistry Curated by ChEMBL					Assay Description Inhibition of human C3a receptor expressed on HMC1 cells by SPA assay				Bioorg Med Chem Lett 17: 3258-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.022 BindingDB Entry DOI: 10.7270/Q2V69KTN
UCB Global Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of 125I-C3a from human C3aR expressed in RBL-2H3 cells				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at human C3aR expressed in RBL-2H3 cells assessed as inhibition of C3a-induced intracellular calcium mobilization				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at C3a receptor in human MDM cells assessed as induction of intracellular calcium release measured at 1 sec interval for => 200 secs...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at C3a receptor in human MDM cells assessed as induction of intracellular calcium release measured at 1 sec interval for => 200 secs...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins f...				J Med Chem 63: 529-541 (2020) Article DOI: 10.1021/acs.jmedchem.9b00927
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322650 ((S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidin...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair