Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50322640'   

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))	BDBM50322640 ((6S,9S,12S,15S,18S,21S)-1-amino-21-benzyl-15-((R)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C36H59N9O9/c1-19(2)16-26(31(49)40-21(5)30(48)42-25(35(53)54)14-11-15-39-36(37)38)44-34(52)29(22(6)46)45-33(51)27(17-20(3)4)43-32(50)28(41-23(7)47)18-24-12-9-8-10-13-24/h8-10,12-13,19-22,25-29,46H,11,14-18H2,1-7H3,(H,40,49)(H,41,47)(H,42,48)(H,43,50)(H,44,52)(H,45,51)(H,53,54)(H4,37,38,39)/t21-,22+,25-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	520	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
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322640 ((6S,9S,12S,15S,18S,21S)-1-amino-21-benzyl-15-((R)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C36H59N9O9/c1-19(2)16-26(31(49)40-21(5)30(48)42-25(35(53)54)14-11-15-39-36(37)38)44-34(52)29(22(6)46)45-33(51)27(17-20(3)4)43-32(50)28(41-23(7)47)18-24-12-9-8-10-13-24/h8-10,12-13,19-22,25-29,46H,11,14-18H2,1-7H3,(H,40,49)(H,41,47)(H,42,48)(H,43,50)(H,44,52)(H,45,51)(H,53,54)(H4,37,38,39)/t21-,22+,25-,26-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
					More data for this Ligand-Target Pair