BDBM50077489 CHEMBL410692::N-{3-[(5S,8S,11R,14S,17R,19aS)-8-Benzyl-17-cyclohexylmethyl-5,14-bis-(1H-indol-3-ylmethyl)-9-methyl-4,7,10,13,16,19-hexaoxo-icosahydro-3a,6,9,12,15,18-hexaaza-cyclopentacyclooctadecen-11-yl]-propyl}-guanidine

SMILES: CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCNC(N)=N)C1=O

InChI Key: InChIKey=GWZKTRMPHMGBKC-PQMFPINGSA-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 = 50077489   

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))	BDBM50077489 (CHEMBL410692 | N-{3-[(5S,8S,11R,14S,17R,19aS)-8-Be...) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCNC(N)=N)C1=O Show InChI InChI=1S/C52H65N11O6/c1-62-45(27-33-16-6-3-7-17-33)49(67)61-43(29-35-31-57-39-21-11-9-19-37(35)39)51(69)63-25-13-23-44(63)48(66)60-41(26-32-14-4-2-5-15-32)46(64)59-42(28-34-30-56-38-20-10-8-18-36(34)38)47(65)58-40(50(62)68)22-12-24-55-52(53)54/h3,6-11,16-21,30-32,40-45,56-57H,2,4-5,12-15,22-29H2,1H3,(H,58,65)(H,59,64)(H,60,66)(H,61,67)(H4,53,54,55)/t40-,41-,42+,43+,44+,45+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+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))	BDBM50077489 (CHEMBL410692 | N-{3-[(5S,8S,11R,14S,17R,19aS)-8-Be...) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCNC(N)=N)C1=O Show InChI InChI=1S/C52H65N11O6/c1-62-45(27-33-16-6-3-7-17-33)49(67)61-43(29-35-31-57-39-21-11-9-19-37(35)39)51(69)63-25-13-23-44(63)48(66)60-41(26-32-14-4-2-5-15-32)46(64)59-42(28-34-30-56-38-20-10-8-18-36(34)38)47(65)58-40(50(62)68)22-12-24-55-52(53)54/h3,6-11,16-21,30-32,40-45,56-57H,2,4-5,12-15,22-29H2,1H3,(H,58,65)(H,59,64)(H,60,66)(H,61,67)(H4,53,54,55)/t40-,41-,42+,43+,44+,45+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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