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BDBM160475 US10093663, Example 26b::US9682968, Example-26a

SMILES: CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O

InChI Key:

Data: 8 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 9 hits for monomerid = 160475   
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 B


(Homo sapiens (Human))
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
PDB
UniChem
US Patent
n/an/a 0.0100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US9682968 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9P9J
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 10n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US10093663 (2018)


BindingDB Entry DOI: 10.7270/Q2DF6T75
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...


US Patent US10093663 (2018)


BindingDB Entry DOI: 10.7270/Q2DF6T75
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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UniChem
PubMed
n/an/an/a 7.90n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human serine protease factor B by SPR assay


J Med Chem 63: 5697-5722 (2020)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human serine protease factor B in human PNH patient derived sample assessed as prevention of erythrocyte lysis


J Med Chem 63: 5697-5722 (2020)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor B in 50% human whole blood assessed as reduction in alternative pathway-mediated membrane attack complex formati...


J Med Chem 63: 5697-5722 (2020)

More data for this
Ligand-Target Pair
Complement factor B


(Mus musculus)
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor B in 50% mouse serum assessed as reduction in C3b deposition pre-incubated for 15 mins before activated zymosan ...


J Med Chem 63: 5697-5722 (2020)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human AP protein factor D


J Med Chem 63: 5697-5722 (2020)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM160475
PNG
(US10093663, Example 26b | US9682968, Example-26a)
Show SMILES CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human serine protease factor B by TR-FRET based competition binding assay


J Med Chem 63: 5697-5722 (2020)

More data for this
Ligand-Target Pair