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SMILES: CN(C1CCN(C)CC1)C(=O)Nc1ccc2n(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)nc(C(N)=O)c2c1

InChI Key: InChIKey=HOERATAUJMEIFL-UHFFFAOYSA-N

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 4 hits for monomerid = 474862   
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
Complement factor D


(Homo sapiens (Human))
BDBM474862
PNG
(US10849883, Compound 279a | US11559515, Compound 2...)
Show SMILES CN(C1CCN(C)CC1)C(=O)Nc1ccc2n(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C30H36ClFN8O4/c1-37-12-10-20(11-13-37)38(2)30(44)35-19-6-9-24-22(14-19)28(29(33)43)36-40(24)17-26(42)39(21-7-8-21)16-25(41)34-15-18-4-3-5-23(31)27(18)32/h3-6,9,14,20-21H,7-8,10-13,15-17H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.117034
BindingDB Entry DOI: 10.7270/Q24X5CW8
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM474862
PNG
(US10849883, Compound 279a | US11559515, Compound 2...)
Show SMILES CN(C1CCN(C)CC1)C(=O)Nc1ccc2n(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C30H36ClFN8O4/c1-37-12-10-20(11-13-37)38(2)30(44)35-19-6-9-24-22(14-19)28(29(33)43)36-40(24)17-26(42)39(21-7-8-21)16-25(41)34-15-18-4-3-5-23(31)27(18)32/h3-6,9,14,20-21H,7-8,10-13,15-17H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.117034
BindingDB Entry DOI: 10.7270/Q24X5CW8
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM474862
PNG
(US10849883, Compound 279a | US11559515, Compound 2...)
Show SMILES CN(C1CCN(C)CC1)C(=O)Nc1ccc2n(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C30H36ClFN8O4/c1-37-12-10-20(11-13-37)38(2)30(44)35-19-6-9-24-22(14-19)28(29(33)43)36-40(24)17-26(42)39(21-7-8-21)16-25(41)34-15-18-4-3-5-23(31)27(18)32/h3-6,9,14,20-21H,7-8,10-13,15-17H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44)
PDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...


US Patent US10849883 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FZZ
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM474862
PNG
(US10849883, Compound 279a | US11559515, Compound 2...)
Show SMILES CN(C1CCN(C)CC1)C(=O)Nc1ccc2n(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C30H36ClFN8O4/c1-37-12-10-20(11-13-37)38(2)30(44)35-19-6-9-24-22(14-19)28(29(33)43)36-40(24)17-26(42)39(21-7-8-21)16-25(41)34-15-18-4-3-5-23(31)27(18)32/h3-6,9,14,20-21H,7-8,10-13,15-17H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN48Z8
More data for this
Ligand-Target Pair