BDBM50462095 CHEMBL4239466

SMILES: NC(=N)NCCC[C@H](NC(=O)c1cccn(Cc2ccccc2Br)c1=O)C(O)=O

InChI Key: InChIKey=CKLLJVYVMOEBBZ-HNNXBMFYSA-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 = 50462095   

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
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50462095 (CHEMBL4239466) Show SMILES NC(=N)NCCC[C@H](NC(=O)c1cccn(Cc2ccccc2Br)c1=O)C(O)=O |r| Show InChI InChI=1S/C19H22BrN5O4/c20-14-7-2-1-5-12(14)11-25-10-4-6-13(17(25)27)16(26)24-15(18(28)29)8-3-9-23-19(21)22/h1-2,4-7,10,15H,3,8-9,11H2,(H,24,26)(H,28,29)(H4,21,22,23)/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of 125I-C3a from recombinant human C3aR expressed in HEK293 cell membranes after 3 hrs by scintillation proximity assay				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