BDBM50192048 Ac-Ala-[Orn-Pro-cha-Trp-Arg]::CHEMBL267491

SMILES: C[C@H](NC(C)=O)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O

InChI Key: InChIKey=DJQYSPMWBMYXMM-QAACDOCTSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192048   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C5a anaphylatoxin chemotactic receptor (C5aR) (Homo sapiens (Human))	BDBM50192048 (Ac-Ala-[Orn-Pro-cha-Trp-Arg] | CHEMBL267491) Show SMILES C[C@H](NC(C)=O)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O |wU:27.27,16.16,1.0,52.59,wD:9.8,41.43,(-6.04,-28.46,;-5.27,-29.8,;-6.04,-31.13,;-7.58,-31.13,;-8.35,-32.47,;-8.35,-29.8,;-3.73,-29.8,;-2.96,-31.13,;-2.96,-28.46,;-1.42,-28.46,;.11,-29.25,;-.38,-31.32,;.79,-32.3,;2.67,-31.18,;3.78,-32.83,;4.04,-34.35,;5.23,-32.3,;6,-33.64,;5.23,-34.98,;6,-36.31,;5.13,-37.58,;5.81,-38.97,;4.94,-40.24,;7.34,-39.08,;5.58,-30.65,;7.18,-29.98,;8.62,-30.5,;7.44,-28.46,;8.98,-28.46,;9.75,-27.13,;9.13,-25.72,;10.27,-24.69,;11.61,-25.46,;13.07,-24.99,;14.22,-26.02,;13.9,-27.52,;12.43,-28,;11.28,-26.97,;5.76,-27.33,;6.41,-25.61,;7.59,-24.62,;5.23,-24.62,;6,-23.29,;5.23,-21.96,;6,-20.62,;5.23,-19.29,;3.69,-19.29,;2.92,-20.62,;3.69,-21.96,;3.66,-25.29,;2.24,-24.1,;1.97,-22.57,;.79,-24.62,;-.46,-24.05,;-1.39,-25.06,;-.72,-26.26,;.63,-25.99,;-1.15,-26.95,;-2.6,-26.42,)| Show InChI InChI=1S/C41H61N11O7/c1-24(47-25(2)53)35(54)49-31-16-9-18-44-36(55)30(15-8-19-45-41(42)43)48-38(57)33(22-27-23-46-29-14-7-6-13-28(27)29)50-37(56)32(21-26-11-4-3-5-12-26)51-39(58)34-17-10-20-52(34)40(31)59/h6-7,13-14,23-24,26,30-34,46H,3-5,8-12,15-22H2,1-2H3,(H,44,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)(H,51,58)(H4,42,43,45)/t24-,30-,31-,32+,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at human C5aR in CD88 transfected RBL cells assessed as inhibition of C5a-induced glucosaminidase release				Bioorg Med Chem Lett 16: 5088-92 (2006) Article DOI: 10.1016/j.bmcl.2006.07.036 BindingDB Entry DOI: 10.7270/Q2RX9BP8
					More data for this Ligand-Target Pair