Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50033567'   

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
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50033567 (CHEMBL408796 | Tyr-Ser-Phe-Lys-Gly-Leu-Leu-Leu-Gly...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C55H88N14O13/c1-31(2)23-40(49(76)62-28-45(72)63-39(54(81)82)16-12-22-60-55(58)59)66-51(78)42(25-33(5)6)67-50(77)41(24-32(3)4)64-46(73)29-61-48(75)38(15-10-11-21-56)65-52(79)43(27-34-13-8-7-9-14-34)68-53(80)44(30-70)69-47(74)37(57)26-35-17-19-36(71)20-18-35/h7-9,13-14,17-20,31-33,37-44,70-71H,10-12,15-16,21-30,56-57H2,1-6H3,(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,69,74)(H,81,82)(H4,58,59,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)				J Med Chem 38: 3669-75 (1995) BindingDB Entry DOI: 10.7270/Q23777RC
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM50033567 (CHEMBL408796 | Tyr-Ser-Phe-Lys-Gly-Leu-Leu-Leu-Gly...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C55H88N14O13/c1-31(2)23-40(49(76)62-28-45(72)63-39(54(81)82)16-12-22-60-55(58)59)66-51(78)42(25-33(5)6)67-50(77)41(24-32(3)4)64-46(73)29-61-48(75)38(15-10-11-21-56)65-52(79)43(27-34-13-8-7-9-14-34)68-53(80)44(30-70)69-47(74)37(57)26-35-17-19-36(71)20-18-35/h7-9,13-14,17-20,31-33,37-44,70-71H,10-12,15-16,21-30,56-57H2,1-6H3,(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,69,74)(H,81,82)(H4,58,59,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)				J Med Chem 38: 3669-75 (1995) BindingDB Entry DOI: 10.7270/Q23777RC
					More data for this Ligand-Target Pair