BDBM50192049 Ac-Phe-[Orn-Pro-cha-Trp-Arg(NO2)]::CHEMBL435927

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N[N+]([O-])=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O

InChI Key: InChIKey=SZMDPBZWYXWILF-HPSWDUTRSA-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 = 50192049   

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))	BDBM50192049 (Ac-Phe-[Orn-Pro-cha-Trp-Arg(NO2)] | CHEMBL435927) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N[N+]([O-])=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O |w:29.30| Show InChI InChI=1S/C47H64N12O9/c1-29(60)52-37(25-30-13-4-2-5-14-30)42(62)54-36-20-11-22-49-41(61)35(19-10-23-50-47(48)57-59(67)68)53-44(64)39(27-32-28-51-34-18-9-8-17-33(32)34)55-43(63)38(26-31-15-6-3-7-16-31)56-45(65)40-21-12-24-58(40)46(36)66/h2,4-5,8-9,13-14,17-18,28,31,35-40,51H,3,6-7,10-12,15-16,19-27H2,1H3,(H,49,61)(H,52,60)(H,53,64)(H,54,62)(H,55,63)(H,56,65)(H3,48,50,57)/t35-,36-,37-,38+,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	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