BDBM50066483 (S)-2-Acetylamino-N-[(5S,12S,15S,18R,20aS)-18-cyclohexylmethyl-12-(3-guanidino-propyl)-15-(1H-indol-3-ylmethyl)-4,11,14,17,20-pentaoxo-icosahydro-3a,10,13,16,19-pentaaza-cyclopentacyclononadecen-5-yl]-3-phenyl-propionamide::CHEMBL334290

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O

InChI Key: InChIKey=OHIUSFUYXMQZOR-ZQPNNPFBSA-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 = 50066483   

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))	BDBM50066483 ((S)-2-Acetylamino-N-[(5S,12S,15S,18R,20aS)-18-cycl...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C48H67N11O7/c1-30(60)54-38(26-31-14-4-2-5-15-31)43(62)56-37-20-10-11-23-51-42(61)36(21-12-24-52-48(49)50)55-45(64)40(28-33-29-53-35-19-9-8-18-34(33)35)57-44(63)39(27-32-16-6-3-7-17-32)58-46(65)41-22-13-25-59(41)47(37)66/h2,4-5,8-9,14-15,18-19,29,32,36-41,53H,3,6-7,10-13,16-17,20-28H2,1H3,(H,51,61)(H,54,60)(H,55,64)(H,56,62)(H,57,63)(H,58,65)(H4,49,50,52)/t36-,37-,38-,39+,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description 50% reduction in binding of [125I]-C5a to human polymorphonuclear cells (PMNs)				J Med Chem 41: 3417-25 (1998) Article DOI: 10.1021/jm9800651 BindingDB Entry DOI: 10.7270/Q2C828FP
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR) (Homo sapiens (Human))	BDBM50066483 ((S)-2-Acetylamino-N-[(5S,12S,15S,18R,20aS)-18-cycl...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C48H67N11O7/c1-30(60)54-38(26-31-14-4-2-5-15-31)43(62)56-37-20-10-11-23-51-42(61)36(21-12-24-52-48(49)50)55-45(64)40(28-33-29-53-35-19-9-8-18-34(33)35)57-44(63)39(27-32-16-6-3-7-17-32)58-46(65)41-22-13-25-59(41)47(37)66/h2,4-5,8-9,14-15,18-19,29,32,36-41,53H,3,6-7,10-13,16-17,20-28H2,1H3,(H,51,61)(H,54,60)(H,55,64)(H,56,62)(H,57,63)(H,58,65)(H4,49,50,52)/t36-,37-,38-,39+,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description 50% reduction in myeloperoxidase secretion from human PMNs mediated by 100 nM C5a				J Med Chem 41: 3417-25 (1998) Article DOI: 10.1021/jm9800651 BindingDB Entry DOI: 10.7270/Q2C828FP
					More data for this Ligand-Target Pair