BDBM50192043 Ac-Phe-[Orn-Pro-cha-Trp-Thi]::CHEMBL425469

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O

InChI Key: InChIKey=YGJKWCVMYKAYOD-LVRNBHEBSA-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 = 50192043   

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))	BDBM50192043 (Ac-Phe-[Orn-Pro-cha-Trp-Thi] | CHEMBL425469) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C48H60N8O7S/c1-30(57)51-38(25-31-13-4-2-5-14-31)44(59)52-37-20-10-22-49-43(58)41(28-34-17-12-24-64-34)54-46(61)40(27-33-29-50-36-19-9-8-18-35(33)36)53-45(60)39(26-32-15-6-3-7-16-32)55-47(62)42-21-11-23-56(42)48(37)63/h2,4-5,8-9,12-14,17-19,24,29,32,37-42,50H,3,6-7,10-11,15-16,20-23,25-28H2,1H3,(H,49,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)(H,55,62)/t37-,38-,39+,40-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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