Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50008231'   

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))	BDBM50008231 (2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)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](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:30.36,8.16,47.56,wD:4.4,19.28,38.45,66.68,61.64,2.2,(26.03,-14.93,;26,-13.39,;24.65,-12.65,;23.33,-13.45,;24.61,-11.11,;23.26,-10.37,;21.94,-11.17,;21.98,-12.71,;20.59,-10.43,;20.57,-8.89,;21.88,-8.09,;21.85,-6.55,;23.16,-5.74,;24.52,-6.49,;24.55,-8.03,;23.23,-8.83,;19.28,-11.22,;17.93,-10.48,;17.89,-8.95,;16.61,-11.28,;16.65,-12.82,;17.99,-13.56,;19.31,-12.76,;20.67,-13.5,;20.7,-15.05,;19.37,-15.85,;18.03,-15.11,;15.26,-10.54,;13.95,-11.34,;13.98,-12.87,;12.59,-10.59,;12.56,-9.06,;13.87,-8.26,;15.22,-9,;13.85,-6.72,;11.28,-11.39,;9.93,-10.65,;9.89,-9.11,;8.61,-11.45,;8.64,-13,;10,-13.74,;10.02,-15.28,;11.37,-16.02,;11.41,-17.56,;7.26,-10.71,;5.94,-11.5,;5.98,-13.05,;4.6,-10.76,;4.56,-9.23,;5.87,-8.43,;7.3,-9.02,;8.3,-7.85,;7.5,-6.54,;6,-6.89,;3.28,-11.57,;1.93,-10.82,;.61,-11.63,;1.89,-9.28,;25.92,-10.32,;25.9,-8.77,;27.27,-11.06,;28.6,-10.26,;28.56,-8.72,;29.94,-11,;29.98,-12.54,;31.27,-10.2,;32.62,-10.95,;32.64,-12.48,;33.99,-13.22,;34.03,-14.76,;35.38,-15.5,;35.41,-17.05,;36.76,-17.79,;34.1,-17.85,;33.93,-10.14,;35.28,-10.88,;33.9,-8.61,)| Show InChI InChI=1S/C51H86N14O12/c1-5-29(2)42(49(75)58-30(3)43(69)61-36(50(76)77)20-14-22-56-51(53)54)65-48(74)38(24-33-17-10-7-11-18-33)63-45(71)37(23-32-15-8-6-9-16-32)62-47(73)40(26-41(67)68)64-44(70)35(19-12-13-21-52)60-46(72)39(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-40,42H,5-26,52H2,1-4H3,(H,55,57)(H,58,75)(H,59,66)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,70)(H,65,74)(H,67,68)(H,76,77)(H4,53,54,56)/t29-,30-,35-,36-,37-,38-,39-,40-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.00E+3	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