BDBM50077497 (R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-cyclohexyl-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid::CHEMBL2373525

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)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=UUICNFFOSAQRRB-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 = 50077497   

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))	BDBM50077497 ((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)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:15.15,41.43,4.3,wD:26.28,30.31,55.59,(2.04,-11.41,;1.75,-9.5,;-.02,-8.8,;3.26,-8.31,;2.97,-6.41,;1.18,-5.71,;.91,-3.8,;2.4,-2.62,;2.12,-.71,;.31,,;-1.17,-1.2,;-.9,-3.09,;4.47,-5.22,;6.26,-5.9,;4.64,-3.3,;6.4,-2.47,;6.56,-.56,;8.32,.27,;8.48,2.18,;10.24,3.01,;7.98,-3.59,;7.78,-5.22,;9.4,-3.04,;9.78,-1.57,;11.32,-1.48,;11.87,-2.9,;10.67,-3.87,;11.99,-4.62,;13.29,-3.87,;11.99,-6.14,;13.29,-6.91,;14.58,-6.06,;15.93,-6.76,;17.52,-6.11,;18.15,-4.94,;18.52,-6.44,;16.88,-7.15,;16.3,-8.23,;14.04,-8.21,;15.58,-8.21,;13.29,-9.53,;14.36,-10.6,;15.83,-10.22,;16.93,-11.3,;16.5,-12.77,;18.05,-13.5,;19.12,-12.42,;20.64,-12.52,;21.49,-11.24,;20.79,-9.85,;19.27,-9.78,;18.42,-11.07,;13.96,-12.08,;12.77,-12.39,;15.03,-13.16,;14.63,-14.63,;16.15,-14.78,;16.78,-16.18,;18.3,-16.34,;18.89,-17.74,;20.41,-17.9,;21.31,-16.67,;21.04,-19.29,;13.74,-15.85,;14.36,-17.25,;12.24,-15.71,)| Show InChI InChI=1S/C47H67N11O8/c1-29(59)53-37(25-30-13-4-2-5-14-30)41(60)54-35(19-10-22-48)45(64)58-24-12-21-40(58)44(63)57-38(26-31-15-6-3-7-16-31)42(61)56-39(27-32-28-52-34-18-9-8-17-33(32)34)43(62)55-36(46(65)66)20-11-23-51-47(49)50/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27,48H2,1H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)(H,65,66)(H4,49,50,51)/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	3.55E+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))	BDBM50077497 ((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)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:15.15,41.43,4.3,wD:26.28,30.31,55.59,(2.04,-11.41,;1.75,-9.5,;-.02,-8.8,;3.26,-8.31,;2.97,-6.41,;1.18,-5.71,;.91,-3.8,;2.4,-2.62,;2.12,-.71,;.31,,;-1.17,-1.2,;-.9,-3.09,;4.47,-5.22,;6.26,-5.9,;4.64,-3.3,;6.4,-2.47,;6.56,-.56,;8.32,.27,;8.48,2.18,;10.24,3.01,;7.98,-3.59,;7.78,-5.22,;9.4,-3.04,;9.78,-1.57,;11.32,-1.48,;11.87,-2.9,;10.67,-3.87,;11.99,-4.62,;13.29,-3.87,;11.99,-6.14,;13.29,-6.91,;14.58,-6.06,;15.93,-6.76,;17.52,-6.11,;18.15,-4.94,;18.52,-6.44,;16.88,-7.15,;16.3,-8.23,;14.04,-8.21,;15.58,-8.21,;13.29,-9.53,;14.36,-10.6,;15.83,-10.22,;16.93,-11.3,;16.5,-12.77,;18.05,-13.5,;19.12,-12.42,;20.64,-12.52,;21.49,-11.24,;20.79,-9.85,;19.27,-9.78,;18.42,-11.07,;13.96,-12.08,;12.77,-12.39,;15.03,-13.16,;14.63,-14.63,;16.15,-14.78,;16.78,-16.18,;18.3,-16.34,;18.89,-17.74,;20.41,-17.9,;21.31,-16.67,;21.04,-19.29,;13.74,-15.85,;14.36,-17.25,;12.24,-15.71,)| Show InChI InChI=1S/C47H67N11O8/c1-29(59)53-37(25-30-13-4-2-5-14-30)41(60)54-35(19-10-22-48)45(64)58-24-12-21-40(58)44(63)57-38(26-31-15-6-3-7-16-31)42(61)56-39(27-32-28-52-34-18-9-8-17-33(32)34)43(62)55-36(46(65)66)20-11-23-51-47(49)50/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27,48H2,1H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)(H,65,66)(H4,49,50,51)/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	800	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