BDBM50192063 Ac-Phe-Orn-Pro-cha-Trp-Arg-NH2::CHEMBL373600

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(N)=O

InChI Key: InChIKey=WWCYUDAAZZAHQN-ZLXQMGRNSA-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 = 50192063   

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))	BDBM50192063 (Ac-Phe-Orn-Pro-cha-Trp-Arg-NH2 | CHEMBL373600) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |wU:30.31,wD:26.28,4.3,55.59,15.15,41.43,(13.44,-22.24,;14.22,-23.57,;13.44,-24.92,;15.76,-23.57,;16.53,-22.24,;18.08,-22.24,;18.84,-23.57,;20.4,-23.58,;21.16,-24.91,;20.39,-26.25,;18.84,-26.24,;18.08,-24.91,;15.77,-20.91,;14.22,-20.91,;16.53,-19.58,;15.78,-18.24,;16.54,-16.9,;18.09,-16.9,;18.85,-15.56,;20.4,-15.57,;14.23,-18.24,;13.45,-19.57,;13.23,-16.5,;14.02,-15.02,;12.81,-14,;11.5,-14.8,;11.85,-16.3,;11.85,-17.84,;13.18,-18.61,;10.52,-18.61,;9.19,-17.84,;9.19,-16.3,;7.86,-15.53,;7.85,-13.98,;6.53,-13.21,;5.19,-13.98,;5.18,-15.52,;6.52,-16.3,;7.86,-18.61,;6.53,-17.84,;7.86,-20.15,;6.53,-20.93,;6.53,-22.47,;7.81,-23.3,;9.22,-22.75,;10.21,-23.94,;9.41,-25.25,;9.84,-26.72,;8.76,-27.85,;7.28,-27.47,;6.84,-26,;7.91,-24.88,;5.19,-20.15,;5.19,-18.61,;3.85,-20.92,;2.52,-20.15,;1.17,-20.92,;-.16,-20.15,;-1.49,-20.92,;-2.82,-20.15,;-4.16,-20.92,;-5.5,-20.15,;-4.17,-22.46,;2.52,-18.61,;3.85,-17.83,;1.17,-17.83,)| Show InChI InChI=1S/C47H68N12O7/c1-29(60)54-37(25-30-13-4-2-5-14-30)42(62)56-36(19-10-22-48)46(66)59-24-12-21-40(59)45(65)58-38(26-31-15-6-3-7-16-31)43(63)57-39(27-32-28-53-34-18-9-8-17-33(32)34)44(64)55-35(41(49)61)20-11-23-52-47(50)51/h2,4-5,8-9,13-14,17-18,28,31,35-40,53H,3,6-7,10-12,15-16,19-27,48H2,1H3,(H2,49,61)(H,54,60)(H,55,64)(H,56,62)(H,57,63)(H,58,65)(H4,50,51,52)/t35-,36+,37+,38-,39-,40+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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
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