Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50008233'   

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))	BDBM50008233 (2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...) Show SMILES CCC[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:29.31,46.48,7.7,wD:18.19,3.2,37.39,65.68,60.63,(23.35,-14.99,;23.32,-13.44,;24.63,-12.64,;24.59,-11.11,;23.24,-10.37,;21.93,-11.16,;21.97,-12.7,;20.58,-10.42,;20.55,-8.89,;21.87,-8.08,;23.22,-8.82,;24.53,-8.03,;24.5,-6.48,;23.15,-5.74,;21.84,-6.55,;19.27,-11.22,;17.91,-10.48,;17.88,-8.94,;16.6,-11.27,;16.64,-12.81,;17.98,-13.55,;19.3,-12.75,;20.65,-13.49,;20.68,-15.04,;19.36,-15.84,;18.02,-15.1,;15.25,-10.53,;13.94,-11.33,;13.97,-12.86,;12.59,-10.59,;12.55,-9.05,;13.86,-8.26,;15.21,-9,;13.84,-6.72,;11.27,-11.38,;9.92,-10.64,;9.89,-9.11,;8.61,-11.44,;8.64,-12.99,;9.99,-13.73,;10.02,-15.27,;11.37,-16.01,;11.4,-17.54,;7.26,-10.7,;5.94,-11.5,;5.98,-13.04,;4.59,-10.75,;4.56,-9.22,;5.87,-8.42,;7.3,-9.02,;8.29,-7.85,;7.5,-6.54,;6,-6.89,;3.27,-11.56,;1.92,-10.81,;.61,-11.62,;1.89,-9.28,;25.91,-10.31,;25.88,-8.77,;27.26,-11.05,;28.58,-10.26,;28.55,-8.71,;29.92,-11,;29.96,-12.53,;31.25,-10.19,;32.6,-10.94,;32.62,-12.48,;33.97,-13.22,;34.01,-14.75,;35.36,-15.49,;35.39,-17.04,;36.74,-17.78,;34.08,-17.83,;33.91,-10.14,;35.26,-10.88,;33.88,-8.6,)| Show InChI InChI=1S/C50H84N14O12/c1-4-14-34(43(69)57-29(2)42(68)61-36(49(75)76)20-13-22-55-50(52)53)59-45(71)37(23-31-15-7-5-8-16-31)62-46(72)38(24-32-17-9-6-10-18-32)63-48(74)40(26-41(66)67)64-44(70)35(19-11-12-21-51)60-47(73)39(58-30(3)65)25-33-27-54-28-56-33/h27-29,31-32,34-40H,4-26,51H2,1-3H3,(H,54,56)(H,57,69)(H,58,65)(H,59,71)(H,60,73)(H,61,68)(H,62,72)(H,63,74)(H,64,70)(H,66,67)(H,75,76)(H4,52,53,55)/t29-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.30E+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