BDBM50077481 (R)-2-[(S)-2-[(R)-2-({(R)-1-[(R)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-2-amino-acetyl]-pyrrolidine-2-carbonyl}-amino)-3-cyclohexyl-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid::CHEMBL2373453

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O

InChI Key: InChIKey=VDAJWPQARAZPNL-KRETZOKZSA-N

Data: 2 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 2 hits for monomerid = 50077481   

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
C5a anaphylatoxin chemotactic receptor (C5aR) (Homo sapiens (Human))	BDBM50077481 ((R)-2-[(S)-2-[(R)-2-({(R)-1-[(R)-2-((S)-2-Acetylam...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:38.40,4.3,15.16,wD:23.25,27.28,52.56,(.63,-9.3,;-.25,-7.58,;-2.18,-7.5,;.78,-5.98,;-.09,-4.27,;-2.01,-4.17,;-2.89,-2.47,;-1.86,-.85,;-2.73,.86,;-4.66,.96,;-5.69,-.66,;-4.81,-2.37,;.95,-2.65,;2.86,-2.75,;.5,-.78,;2.14,.22,;2.1,2.13,;3.82,-.71,;3.69,-2.35,;5.24,-.16,;5.61,1.31,;7.15,1.39,;7.7,-.02,;6.51,-1,;7.83,-1.74,;9.12,-1,;7.83,-3.26,;9.12,-4.03,;10.42,-3.19,;11.76,-3.88,;13.35,-3.24,;13.98,-2.07,;14.35,-3.56,;12.71,-4.27,;12.13,-5.36,;9.87,-5.33,;11.41,-5.33,;9.12,-6.65,;10.19,-7.72,;11.66,-7.33,;12.76,-8.42,;12.33,-9.89,;13.88,-10.62,;14.95,-9.54,;16.47,-9.64,;17.31,-8.35,;16.62,-6.97,;15.1,-6.9,;14.25,-8.19,;9.79,-9.2,;8.6,-9.51,;10.86,-10.28,;10.47,-11.75,;11.99,-11.9,;12.61,-13.3,;14.13,-13.45,;14.72,-14.85,;16.24,-15.01,;17.14,-13.78,;16.87,-16.41,;9.57,-12.97,;10.19,-14.37,;8.08,-12.82,)| Show InChI InChI=1S/C44H61N11O8/c1-26(56)50-33(22-27-12-4-2-5-13-27)40(59)54-37(45)42(61)55-21-11-19-36(55)41(60)53-34(23-28-14-6-3-7-15-28)38(57)52-35(24-29-25-49-31-17-9-8-16-30(29)31)39(58)51-32(43(62)63)18-10-20-48-44(46)47/h2,4-5,8-9,12-13,16-17,25,28,32-37,49H,3,6-7,10-11,14-15,18-24,45H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H,53,60)(H,54,59)(H,62,63)(H4,46,47,48)/t32-,33+,34-,35+,36-,37-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor				J Med Chem 42: 1965-74 (1999) Article DOI: 10.1021/jm9806594 BindingDB Entry DOI: 10.7270/Q2JQ106W
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR) (Homo sapiens (Human))	BDBM50077481 ((R)-2-[(S)-2-[(R)-2-({(R)-1-[(R)-2-((S)-2-Acetylam...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:38.40,4.3,15.16,wD:23.25,27.28,52.56,(.63,-9.3,;-.25,-7.58,;-2.18,-7.5,;.78,-5.98,;-.09,-4.27,;-2.01,-4.17,;-2.89,-2.47,;-1.86,-.85,;-2.73,.86,;-4.66,.96,;-5.69,-.66,;-4.81,-2.37,;.95,-2.65,;2.86,-2.75,;.5,-.78,;2.14,.22,;2.1,2.13,;3.82,-.71,;3.69,-2.35,;5.24,-.16,;5.61,1.31,;7.15,1.39,;7.7,-.02,;6.51,-1,;7.83,-1.74,;9.12,-1,;7.83,-3.26,;9.12,-4.03,;10.42,-3.19,;11.76,-3.88,;13.35,-3.24,;13.98,-2.07,;14.35,-3.56,;12.71,-4.27,;12.13,-5.36,;9.87,-5.33,;11.41,-5.33,;9.12,-6.65,;10.19,-7.72,;11.66,-7.33,;12.76,-8.42,;12.33,-9.89,;13.88,-10.62,;14.95,-9.54,;16.47,-9.64,;17.31,-8.35,;16.62,-6.97,;15.1,-6.9,;14.25,-8.19,;9.79,-9.2,;8.6,-9.51,;10.86,-10.28,;10.47,-11.75,;11.99,-11.9,;12.61,-13.3,;14.13,-13.45,;14.72,-14.85,;16.24,-15.01,;17.14,-13.78,;16.87,-16.41,;9.57,-12.97,;10.19,-14.37,;8.08,-12.82,)| Show InChI InChI=1S/C44H61N11O8/c1-26(56)50-33(22-27-12-4-2-5-13-27)40(59)54-37(45)42(61)55-21-11-19-36(55)41(60)53-34(23-28-14-6-3-7-15-28)38(57)52-35(24-29-25-49-31-17-9-8-16-30(29)31)39(58)51-32(43(62)63)18-10-20-48-44(46)47/h2,4-5,8-9,12-13,16-17,25,28,32-37,49H,3,6-7,10-11,14-15,18-24,45H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H,53,60)(H,54,59)(H,62,63)(H4,46,47,48)/t32-,33+,34-,35+,36-,37-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor				J Med Chem 42: 1965-74 (1999) Article DOI: 10.1021/jm9806594 BindingDB Entry DOI: 10.7270/Q2JQ106W
					More data for this Ligand-Target Pair