Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C3a anaphylatoxin chemotactic receptor' and Ligand = 'BDBM50322638'   

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))	BDBM50322638 ((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C41H57N11O8/c1-21(2)16-32(37(56)48-22(3)35(54)49-31(40(59)60)14-9-15-45-41(43)44)51-39(58)34(23(4)53)52-38(57)33(18-25-20-47-30-13-8-6-11-27(25)30)50-36(55)28(42)17-24-19-46-29-12-7-5-10-26(24)29/h5-8,10-13,19-23,28,31-34,46-47,53H,9,14-18,42H2,1-4H3,(H,48,56)(H,49,54)(H,50,55)(H,51,58)(H,52,57)(H,59,60)(H4,43,44,45)/t22-,23+,28-,31-,32-,33-,34-/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	245	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 C3a receptor in human PBMC by scintillation counting				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322638 ((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C41H57N11O8/c1-21(2)16-32(37(56)48-22(3)35(54)49-31(40(59)60)14-9-15-45-41(43)44)51-39(58)34(23(4)53)52-38(57)33(18-25-20-47-30-13-8-6-11-27(25)30)50-36(55)28(42)17-24-19-46-29-12-7-5-10-26(24)29/h5-8,10-13,19-23,28,31-34,46-47,53H,9,14-18,42H2,1-4H3,(H,48,56)(H,49,54)(H,50,55)(H,51,58)(H,52,57)(H,59,60)(H4,43,44,45)/t22-,23+,28-,31-,32-,33-,34-/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	245	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 C3a receptor in human PBMC by scintillation counting				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322638 ((2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C41H57N11O8/c1-21(2)16-32(37(56)48-22(3)35(54)49-31(40(59)60)14-9-15-45-41(43)44)51-39(58)34(23(4)53)52-38(57)33(18-25-20-47-30-13-8-6-11-27(25)30)50-36(55)28(42)17-24-19-46-29-12-7-5-10-26(24)29/h5-8,10-13,19-23,28,31-34,46-47,53H,9,14-18,42H2,1-4H3,(H,48,56)(H,49,54)(H,50,55)(H,51,58)(H,52,57)(H,59,60)(H4,43,44,45)/t22-,23+,28-,31-,32-,33-,34-/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	n/a	n/a	910	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
					More data for this Ligand-Target Pair