Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50520320'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520320 (CHEMBL4458380) Show SMILES CCC(Cc1ccccc1)c1ccc(s1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C21H28N4O3S/c1-2-15(13-14-7-4-3-5-8-14)17-10-11-18(29-17)19(26)25-16(20(27)28)9-6-12-24-21(22)23/h3-5,7-8,10-11,15-16H,2,6,9,12-13H2,1H3,(H,25,26)(H,27,28)(H4,22,23,24)/t15?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520320 (CHEMBL4458380) Show SMILES CCC(Cc1ccccc1)c1ccc(s1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C21H28N4O3S/c1-2-15(13-14-7-4-3-5-8-14)17-10-11-18(29-17)19(26)25-16(20(27)28)9-6-12-24-21(22)23/h3-5,7-8,10-11,15-16H,2,6,9,12-13H2,1H3,(H,25,26)(H,27,28)(H4,22,23,24)/t15?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520320 (CHEMBL4458380) Show SMILES CCC(Cc1ccccc1)c1ccc(s1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C21H28N4O3S/c1-2-15(13-14-7-4-3-5-8-14)17-10-11-18(29-17)19(26)25-16(20(27)28)9-6-12-24-21(22)23/h3-5,7-8,10-11,15-16H,2,6,9,12-13H2,1H3,(H,25,26)(H,27,28)(H4,22,23,24)/t15?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG 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 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50520320 (CHEMBL4458380) Show SMILES CCC(Cc1ccccc1)c1ccc(s1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C21H28N4O3S/c1-2-15(13-14-7-4-3-5-8-14)17-10-11-18(29-17)19(26)25-16(20(27)28)9-6-12-24-21(22)23/h3-5,7-8,10-11,15-16H,2,6,9,12-13H2,1H3,(H,25,26)(H,27,28)(H4,22,23,24)/t15?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG 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 BindingDB Entry DOI: 10.7270/Q2377D3X
					More data for this Ligand-Target Pair