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BDBM50462104 CHEMBL4248716

SMILES: NC(=N)NCCC[C@H](N1Cc2nc(sc2C1=O)C(c1ccccc1)c1ccccc1)C(O)=O

InChI Key: InChIKey=VPYDLGQUSBCEFL-SFHVURJKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50462104   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50462104
PNG
(CHEMBL4248716)
Show SMILES NC(=N)NCCC[C@H](N1Cc2nc(sc2C1=O)C(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H25N5O3S/c25-24(26)27-13-7-12-18(23(31)32)29-14-17-20(22(29)30)33-21(28-17)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,18-19H,7,12-14H2,(H,31,32)(H4,25,26,27)/t18-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at C3aR in HMDM assessed as inhibition of agonist-induced Ca2+ release

J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair