Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50305742'   

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
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50305742 (CHEMBL605416 | N,N'-(propane-1,3-diyl)bis(4-methyl...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CCCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O4S2/c1-24-14-18-28(19-15-24)36(32,33)30(26-10-5-3-6-11-26)22-9-23-31(27-12-7-4-8-13-27)37(34,35)29-20-16-25(2)17-21-29/h3-8,10-21H,9,22-23H2,1-2H3	PDB KEGG 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 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
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50305742 (CHEMBL605416 | N,N'-(propane-1,3-diyl)bis(4-methyl...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CCCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O4S2/c1-24-14-18-28(19-15-24)36(32,33)30(26-10-5-3-6-11-26)22-9-23-31(27-12-7-4-8-13-27)37(34,35)29-20-16-25(2)17-21-29/h3-8,10-21H,9,22-23H2,1-2H3	PDB KEGG 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 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
					More data for this Ligand-Target Pair