BDBM50077490 (S)-2-Amino-N-[(5S,11R,14S,17R,19aS)-17-cyclohexylmethyl-11-(2-guanidino-ethyl)-14-(1H-indol-3-ylmethyl)-4,10,13,16,19-pentaoxo-icosahydro-3a,9,12,15,18-pentaaza-cyclopentacyclooctadecen-5-yl]-3-phenyl-propionamide::CHEMBL435580

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

InChI Key: InChIKey=KWGUJHWVTUTXTJ-HEPCJBHQSA-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 = 50077490   

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))	BDBM50077490 ((S)-2-Amino-N-[(5S,11R,14S,17R,19aS)-17-cyclohexyl...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C44H61N11O6/c45-31(23-27-11-3-1-4-12-27)38(56)52-34-17-9-20-48-39(57)33(19-21-49-44(46)47)51-41(59)36(25-29-26-50-32-16-8-7-15-30(29)32)53-40(58)35(24-28-13-5-2-6-14-28)54-42(60)37-18-10-22-55(37)43(34)61/h1,3-4,7-8,11-12,15-16,26,28,31,33-37,50H,2,5-6,9-10,13-14,17-25,45H2,(H,48,57)(H,51,59)(H,52,56)(H,53,58)(H,54,60)(H4,46,47,49)/t31-,33+,34-,35+,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+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))	BDBM50077490 ((S)-2-Amino-N-[(5S,11R,14S,17R,19aS)-17-cyclohexyl...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C44H61N11O6/c45-31(23-27-11-3-1-4-12-27)38(56)52-34-17-9-20-48-39(57)33(19-21-49-44(46)47)51-41(59)36(25-29-26-50-32-16-8-7-15-30(29)32)53-40(58)35(24-28-13-5-2-6-14-28)54-42(60)37-18-10-22-55(37)43(34)61/h1,3-4,7-8,11-12,15-16,26,28,31,33-37,50H,2,5-6,9-10,13-14,17-25,45H2,(H,48,57)(H,51,59)(H,52,56)(H,53,58)(H,54,60)(H4,46,47,49)/t31-,33+,34-,35+,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+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