Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50077503'   

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))	BDBM50077503 ((S)-2-Amino-N-[(5S,10R,13S,16R,18aS)-16-cyclohexyl...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C43H59N11O6/c44-30(22-26-10-3-1-4-11-26)37(55)51-33-18-19-47-38(56)32(17-20-48-43(45)46)50-40(58)35(24-28-25-49-31-15-8-7-14-29(28)31)52-39(57)34(23-27-12-5-2-6-13-27)53-41(59)36-16-9-21-54(36)42(33)60/h1,3-4,7-8,10-11,14-15,25,27,30,32-36,49H,2,5-6,9,12-13,16-24,44H2,(H,47,56)(H,50,58)(H,51,55)(H,52,57)(H,53,59)(H4,45,46,48)/t30-,32+,33-,34+,35-,36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor				J Med Chem 42: 1965-74 (1999) Article DOI: 10.1021/jm9806594 BindingDB Entry DOI: 10.7270/Q2JQ106W
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50077503 ((S)-2-Amino-N-[(5S,10R,13S,16R,18aS)-16-cyclohexyl...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C43H59N11O6/c44-30(22-26-10-3-1-4-11-26)37(55)51-33-18-19-47-38(56)32(17-20-48-43(45)46)50-40(58)35(24-28-25-49-31-15-8-7-14-29(28)31)52-39(57)34(23-27-12-5-2-6-13-27)53-41(59)36-16-9-21-54(36)42(33)60/h1,3-4,7-8,10-11,14-15,25,27,30,32-36,49H,2,5-6,9,12-13,16-24,44H2,(H,47,56)(H,50,58)(H,51,55)(H,52,57)(H,53,59)(H4,45,46,48)/t30-,32+,33-,34+,35-,36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor				J Med Chem 42: 1965-74 (1999) Article DOI: 10.1021/jm9806594 BindingDB Entry DOI: 10.7270/Q2JQ106W
					More data for this Ligand-Target Pair