BindingDB logo
myBDB logout

BDBM134477 US8846656, 17-AI

SMILES: CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCC(O)C(C)(C)C3)c2C1)-c1cccc2[nH]cc(C)c12

InChI Key: InChIKey=CLMCBMOVKNOTSB-UHFFFAOYNA-N

Data: 1 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 1 hit for monomerid = 134477   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM134477
PNG
(US8846656, 17-AI)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCC(O)C(C)(C)C3)c2C1)-c1cccc2[nH]cc(C)c12
Show InChI InChI=1/C33H41N5O/c1-20(2)23-11-10-21(3)28(16-23)37-14-12-26-25(18-37)32(38-15-13-29(39)33(5,6)19-38)36-31(35-26)24-8-7-9-27-30(24)22(4)17-34-27/h7-11,16-17,20,29,34,39H,12-15,18-19H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair