BDBM50192046 Ac-Phe-[Orn-Pro-cha-Trp-Har]::CHEMBL415150

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

InChI Key: InChIKey=LVGVYKSSYHGBED-ZQPNNPFBSA-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 = 50192046   

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))	BDBM50192046 (Ac-Phe-[Orn-Pro-cha-Trp-Har] | CHEMBL415150) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O |wU:59.67,34.35,22.23,4.3,wD:48.51,15.15,(-3.46,-34.69,;-2.69,-33.36,;-3.46,-32.02,;-1.17,-33.36,;-.4,-32.02,;-1.17,-30.69,;-.4,-29.36,;1.14,-29.36,;1.92,-28.03,;1.14,-26.69,;-.41,-26.7,;-1.16,-28.04,;1.14,-32.02,;1.91,-33.35,;1.91,-30.69,;3.45,-30.69,;5.11,-31.8,;4.49,-33.54,;5.67,-34.52,;7.27,-33.56,;8.66,-35.05,;8.92,-36.57,;10.1,-34.52,;10.87,-35.86,;10.1,-37.2,;10.87,-38.53,;10.1,-39.86,;10.87,-41.19,;12.41,-41.19,;13.18,-42.53,;13.18,-39.86,;10.48,-32.68,;12.05,-32.21,;13.49,-32.72,;12.31,-30.69,;13.85,-30.69,;14.62,-29.36,;14,-27.95,;15.14,-26.92,;16.48,-27.69,;17.94,-27.21,;19.09,-28.25,;18.76,-29.75,;17.3,-30.22,;16.15,-29.19,;10.76,-29.48,;11.28,-27.84,;12.46,-26.85,;10.1,-26.85,;10.87,-25.52,;10.1,-24.19,;10.87,-22.85,;10.1,-21.52,;8.56,-21.52,;7.79,-22.85,;8.56,-24.19,;8.54,-27.32,;7.12,-26.33,;6.85,-24.8,;5.67,-26.85,;4.32,-26.07,;3.4,-27.2,;3.87,-28.66,;5.41,-28.66,;3.72,-29.17,;2.28,-28.65,)| Show InChI InChI=1S/C48H67N11O7/c1-30(60)54-38(26-31-14-4-2-5-15-31)43(62)56-37-21-12-24-51-42(61)36(20-10-11-23-52-48(49)50)55-45(64)40(28-33-29-53-35-19-9-8-18-34(33)35)57-44(63)39(27-32-16-6-3-7-17-32)58-46(65)41-22-13-25-59(41)47(37)66/h2,4-5,8-9,14-15,18-19,29,32,36-41,53H,3,6-7,10-13,16-17,20-28H2,1H3,(H,51,61)(H,54,60)(H,55,64)(H,56,62)(H,57,63)(H,58,65)(H4,49,50,52)/t36-,37-,38-,39+,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	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