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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Complement factor B (FB) catalytic domain'   
Target
(Institution)
LigandTarget
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 B (FB) catalytic domain


(Homo sapiens (Human))
BDBM203865
PNG
(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Show SMILES COC(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H22F3N3O5/c1-32-20(30)17-9-3-2-6-14(17)13-26-21(31)28-11-5-10-18(28)19(29)27-15-7-4-8-16(12-15)33-22(23,24)25/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,26,31)(H,27,29)/t18-/m0/s1
PDB

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PDB
UniChem
AffyNet 
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...


Nat Chem Biol 12: 1105-1110 (2016)

More data for this
Ligand-Target Pair
Complement factor B (FB) catalytic domain


(Homo sapiens (Human))
BDBM171272
PNG
(1-(2-((1R,3S,5R)-3-(((R)-1-(3-Chloro-2-fluoropheny...)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)c1cccc(Cl)c1F
Show InChI InChI=1/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/s2
PDB

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PC cid
PC sid
PDB
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Similars

AffyNet 
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...


Nat Chem Biol 12: 1105-1110 (2016)

More data for this
Ligand-Target Pair
Complement factor B (FB) catalytic domain


(Homo sapiens (Human))
BDBM203868
PNG
((S)-N2-benzhydryl-N1-(1-methyl-1H-indol-3-yl)pyrro...)
Show SMILES Cn1cc(NC(=O)N2CCC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc12
Show InChI InChI=1/C28H28N4O2/c1-31-19-23(22-15-8-9-16-24(22)31)29-28(34)32-18-10-17-25(32)27(33)30-26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-16,19,25-26H,10,17-18H2,1H3,(H,29,34)(H,30,33)/t25-/s2
PDB

GoogleScholar
AffyNet 
UniChem
AffyNet 
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...


Nat Chem Biol 12: 1105-1110 (2016)

More data for this
Ligand-Target Pair
Complement factor B (FB) catalytic domain


(Homo sapiens (Human))
BDBM203867
PNG
(3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...)
Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1
Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)
PDB

GoogleScholar
AffyNet 
PDB
UniChem
AffyNet 
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...


Nat Chem Biol 12: 1105-1110 (2016)

More data for this
Ligand-Target Pair