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BDBM50201564 CHEMBL3890777

SMILES: NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12

InChI Key:

Data: 3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50201564   
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
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|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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|
PDB

KEGG

UniProtKB/SwissProt

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



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal 6His-tagged/biotinylated complement factor D (26 to 253 residues) expressed in Sf9 insect cells by b...


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


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