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Compile Data Set for Download or QSAR

Found 3 hits of ki for UniProtKB: P00746   
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)
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PC cid
PC sid
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Article
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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))
BDBM50236214
PNG
(CHEMBL4089211)
Show SMILES OC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1CC1c1ccccc1
Show InChI InChI=1S/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)
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Similars

PDB
Article
PubMed
5.00E+5n/an/an/an/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to factor D (unknown origin) by 19F-NMR spectroscopy


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM50236213
PNG
(2-(3-Benzylureido)Benzoic Acid | CHEMBL561499)
Show SMILES OC(=O)c1ccccc1NC(=O)NCc1ccccc1
Show InChI InChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
5.00E+5n/an/an/an/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to factor D (unknown origin) by 19F-NMR spectroscopy


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)