BDBM50077482 (R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-amino-3-phenyl-propionylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-cyclohexyl-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid::CHEMBL2373448

SMILES: CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)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=DOUBWNUTSZWILP-GHGGIBEBSA-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 = 50077482   

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))	BDBM50077482 ((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...) Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)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:40.42,2.2,wD:25.27,13.13,29.30,54.58,(.4,-4.76,;1.74,-5.54,;3.07,-4.77,;3.07,-3.23,;4.4,-2.46,;5.73,-3.23,;7.06,-2.46,;7.06,-.92,;5.73,-.15,;4.4,-.92,;4.4,-5.54,;4.4,-7.08,;5.73,-4.77,;6.5,-6.1,;5.73,-7.43,;6.5,-8.76,;5.73,-10.1,;6.5,-11.44,;5.73,-12.77,;7.83,-6.87,;7.82,-8.41,;9.15,-6.1,;9.55,-4.61,;11.09,-4.53,;11.65,-5.96,;10.45,-6.94,;11.78,-7.71,;13.11,-6.94,;11.78,-9.25,;13.11,-10.03,;14.41,-9.18,;15.77,-9.88,;16.14,-11.38,;16.72,-10.26,;18.38,-9.53,;18.03,-8.04,;17.38,-9.21,;13.87,-11.35,;15.41,-11.35,;13.1,-12.68,;14.18,-13.76,;15.68,-13.36,;16.77,-14.46,;16.35,-15.96,;17.91,-16.7,;18.99,-15.61,;20.55,-15.7,;21.4,-14.41,;20.7,-13.01,;19.15,-12.94,;18.31,-14.23,;13.78,-15.26,;12.57,-15.58,;14.86,-16.35,;14.46,-17.85,;16,-18.01,;16.63,-19.41,;18.15,-19.58,;18.78,-20.99,;20.32,-21.16,;21.21,-19.9,;20.93,-22.56,;13.55,-19.09,;14.18,-20.5,;12.03,-18.92,)| Show InChI InChI=1S/C47H69N11O7/c1-51-37(26-30-14-4-2-5-15-30)41(59)54-35(20-10-11-23-48)45(63)58-25-13-22-40(58)44(62)57-38(27-31-16-6-3-7-17-31)42(60)56-39(28-32-29-53-34-19-9-8-18-33(32)34)43(61)55-36(46(64)65)21-12-24-52-47(49)50/h2,4-5,8-9,14-15,18-19,29,31,35-40,51,53H,3,6-7,10-13,16-17,20-28,48H2,1H3,(H,54,59)(H,55,61)(H,56,60)(H,57,62)(H,64,65)(H4,49,50,52)/t35-,36+,37-,38+,39-,40+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+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))	BDBM50077482 ((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...) Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)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:40.42,2.2,wD:25.27,13.13,29.30,54.58,(.4,-4.76,;1.74,-5.54,;3.07,-4.77,;3.07,-3.23,;4.4,-2.46,;5.73,-3.23,;7.06,-2.46,;7.06,-.92,;5.73,-.15,;4.4,-.92,;4.4,-5.54,;4.4,-7.08,;5.73,-4.77,;6.5,-6.1,;5.73,-7.43,;6.5,-8.76,;5.73,-10.1,;6.5,-11.44,;5.73,-12.77,;7.83,-6.87,;7.82,-8.41,;9.15,-6.1,;9.55,-4.61,;11.09,-4.53,;11.65,-5.96,;10.45,-6.94,;11.78,-7.71,;13.11,-6.94,;11.78,-9.25,;13.11,-10.03,;14.41,-9.18,;15.77,-9.88,;16.14,-11.38,;16.72,-10.26,;18.38,-9.53,;18.03,-8.04,;17.38,-9.21,;13.87,-11.35,;15.41,-11.35,;13.1,-12.68,;14.18,-13.76,;15.68,-13.36,;16.77,-14.46,;16.35,-15.96,;17.91,-16.7,;18.99,-15.61,;20.55,-15.7,;21.4,-14.41,;20.7,-13.01,;19.15,-12.94,;18.31,-14.23,;13.78,-15.26,;12.57,-15.58,;14.86,-16.35,;14.46,-17.85,;16,-18.01,;16.63,-19.41,;18.15,-19.58,;18.78,-20.99,;20.32,-21.16,;21.21,-19.9,;20.93,-22.56,;13.55,-19.09,;14.18,-20.5,;12.03,-18.92,)| Show InChI InChI=1S/C47H69N11O7/c1-51-37(26-30-14-4-2-5-15-30)41(59)54-35(20-10-11-23-48)45(63)58-25-13-22-40(58)44(62)57-38(27-31-16-6-3-7-17-31)42(60)56-39(28-32-29-53-34-19-9-8-18-33(32)34)43(61)55-36(46(64)65)21-12-24-52-47(49)50/h2,4-5,8-9,14-15,18-19,29,31,35-40,51,53H,3,6-7,10-13,16-17,20-28,48H2,1H3,(H,54,59)(H,55,61)(H,56,60)(H,57,62)(H,64,65)(H4,49,50,52)/t35-,36+,37-,38+,39-,40+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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