Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50028700'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50028700 (CHEMBL3342678) Show SMILES NC(=N)NCCC[C@H](NC(=O)CNCC(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H29N5O3/c23-22(24)26-13-7-12-19(21(29)30)27-20(28)15-25-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19,25H,7,12-15H2,(H,27,28)(H,29,30)(H4,23,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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 C3AR in HMDMs by scintillation counting method				J Med Chem 57: 8459-70 (2014) Article DOI: 10.1021/jm500956p BindingDB Entry DOI: 10.7270/Q21R6S3N
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50028700 (CHEMBL3342678) Show SMILES NC(=N)NCCC[C@H](NC(=O)CNCC(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H29N5O3/c23-22(24)26-13-7-12-19(21(29)30)27-20(28)15-25-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19,25H,7,12-15H2,(H,27,28)(H,29,30)(H4,23,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	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 C3AR in HMDMs by scintillation counting method				J Med Chem 57: 8459-70 (2014) Article DOI: 10.1021/jm500956p BindingDB Entry DOI: 10.7270/Q21R6S3N
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50028700 (CHEMBL3342678) Show SMILES NC(=N)NCCC[C@H](NC(=O)CNCC(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H29N5O3/c23-22(24)26-13-7-12-19(21(29)30)27-20(28)15-25-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19,25H,7,12-15H2,(H,27,28)(H,29,30)(H4,23,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR assay				J Med Chem 57: 8459-70 (2014) Article DOI: 10.1021/jm500956p BindingDB Entry DOI: 10.7270/Q21R6S3N
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50028700 (CHEMBL3342678) Show SMILES NC(=N)NCCC[C@H](NC(=O)CNCC(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H29N5O3/c23-22(24)26-13-7-12-19(21(29)30)27-20(28)15-25-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19,25H,7,12-15H2,(H,27,28)(H,29,30)(H4,23,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR assay				J Med Chem 57: 8459-70 (2014) Article DOI: 10.1021/jm500956p BindingDB Entry DOI: 10.7270/Q21R6S3N
					More data for this Ligand-Target Pair