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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50201564   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor D


(Homo sapiens (Human))
BDBM50201564
PNG
(CHEMBL3890777)
Show SMILES NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12 |r|
Show InChI InChI=1S/C18H16BrN7O3S/c19-11-4-1-5-12(22-11)23-17(29)18-25(7-8-30-18)13(27)9-26-16-10(3-2-6-21-16)14(24-26)15(20)28/h1-6,18H,7-9H2,(H2,20,28)(H,22,23,29)/t18-/m0/s1
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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6His-tagged complement factor D (26 to 253 residues) expressed in Sf9 insect cells preincubated for 1 hr f...


ACS Med Chem Lett 7: 1092-1096 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00299
BindingDB Entry DOI: 10.7270/Q26T0PM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM50201564
PNG
(CHEMBL3890777)
Show SMILES NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12 |r|
Show InChI InChI=1S/C18H16BrN7O3S/c19-11-4-1-5-12(22-11)23-17(29)18-25(7-8-30-18)13(27)9-26-16-10(3-2-6-21-16)14(24-26)15(20)28/h1-6,18H,7-9H2,(H2,20,28)(H,22,23,29)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Competitive inhibition of human complement factor D preincubated for 1 hr followed by addition of Z-Lys-thiobenzyl ester as substrate measured over 5...


ACS Med Chem Lett 7: 1092-1096 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00299
BindingDB Entry DOI: 10.7270/Q26T0PM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM50201564
PNG
(CHEMBL3890777)
Show SMILES NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12 |r|
Show InChI InChI=1S/C18H16BrN7O3S/c19-11-4-1-5-12(22-11)23-17(29)18-25(7-8-30-18)13(27)9-26-16-10(3-2-6-21-16)14(24-26)15(20)28/h1-6,18H,7-9H2,(H2,20,28)(H,22,23,29)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 205n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human serum factor D-mediated complement activation in rabbit erythrocytes assessed as reduction in rabbit erythrocyte hemolysis preinc...


ACS Med Chem Lett 7: 1092-1096 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00299
BindingDB Entry DOI: 10.7270/Q26T0PM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)