Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50008235'   

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))	BDBM50008235 (2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...) Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:8.8,25.25,39.40,4.3,wD:48.49,16.16,60.61,(19.54,-15.9,;18.19,-15.16,;18.16,-13.62,;16.8,-12.88,;16.77,-11.33,;15.42,-10.59,;14.1,-11.38,;14.14,-12.93,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;11.44,-11.45,;10.09,-10.7,;10.05,-9.16,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;7.43,-10.77,;6.11,-11.56,;6.14,-13.1,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;3.45,-11.62,;2.1,-10.88,;.78,-11.67,;2.06,-9.34,;18.08,-10.53,;18.06,-9,;19.43,-11.27,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;22,-6.6,;20.65,-5.86,;23.32,-5.81,;22.1,-11.22,;22.13,-12.75,;23.42,-10.42,;24.76,-11.16,;24.8,-12.7,;26.15,-13.44,;26.18,-14.99,;27.46,-12.64,;26.09,-10.37,;26.06,-8.83,;27.44,-11.11,;28.75,-10.31,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)| Show InChI InChI=1S/C42H71N15O13S/c1-22(2)16-29(35(63)49-20-33(60)52-28(41(69)70)9-7-14-48-42(45)46)56-37(65)26(10-11-32(44)59)54-38(66)27(12-15-71-4)55-40(68)31(18-34(61)62)57-36(64)25(8-5-6-13-43)53-39(67)30(51-23(3)58)17-24-19-47-21-50-24/h19,21-22,25-31H,5-18,20,43H2,1-4H3,(H2,44,59)(H,47,50)(H,49,63)(H,51,58)(H,52,60)(H,53,67)(H,54,66)(H,55,68)(H,56,65)(H,57,64)(H,61,62)(H,69,70)(H4,45,46,48)/t25-,26-,27+,28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor				J Med Chem 35: 220-3 (1992) BindingDB Entry DOI: 10.7270/Q21G0K7X
					More data for this Ligand-Target Pair