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PubMed code 24900375

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Factor D


(Homo sapiens (Human))
BDBM50400274
PNG
(CHEMBL2180765 | US9085555, 373)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC#N)ccc12
Show InChI InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human complement factor D after 1 hr


ACS Med Chem Lett 3: 781-782 (2012)


Article DOI: 10.1021/ml300233n
BindingDB Entry DOI: 10.7270/Q2SJ1MSD
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM50400273
PNG
(CHEMBL2180764 | US9085555, 375)
Show SMILES C[C@@]1(F)C[C@H](N(C1)C(=O)Nc1cn(C(N)=O)c2ccc(OCC(O)=O)cc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C25H24ClF2N5O6/c1-25(28)8-19(22(36)30-9-13-3-2-4-16(26)21(13)27)33(12-25)24(38)31-17-10-32(23(29)37)18-6-5-14(7-15(17)18)39-11-20(34)35/h2-7,10,19H,8-9,11-12H2,1H3,(H2,29,37)(H,30,36)(H,31,38)(H,34,35)/t19-,25+/m0/s1
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PubMed
n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human complement factor D after 1 hr


ACS Med Chem Lett 3: 781-782 (2012)


Article DOI: 10.1021/ml300233n
BindingDB Entry DOI: 10.7270/Q2SJ1MSD
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM50400275
PNG
(CHEMBL2180766 | US9085555, 127)
Show SMILES CC(C)(C)OC(=O)Cc1ccc2c(NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)cn(C(N)=O)c2c1
Show InChI InChI=1S/C29H31ClFN5O5/c1-29(2,3)41-24(37)10-15-7-8-18-20(14-35(27(32)39)22(18)9-15)34-28(40)36-21-11-17(21)12-23(36)26(38)33-13-16-5-4-6-19(30)25(16)31/h4-9,14,17,21,23H,10-13H2,1-3H3,(H2,32,39)(H,33,38)(H,34,40)/t17-,21-,23+/m1/s1
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PubMed
n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human complement factor D after 1 hr


ACS Med Chem Lett 3: 781-782 (2012)


Article DOI: 10.1021/ml300233n
BindingDB Entry DOI: 10.7270/Q2SJ1MSD
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM50400276
PNG
(CHEMBL2181048 | US9085555, 82)
Show SMILES N[C@H]1C[C@H](N(C1)C(=O)Nc1cn(C(N)=O)c2ccccc12)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C23H26N6O4/c24-15-10-19(21(31)26-11-20(30)14-6-2-1-3-7-14)29(12-15)23(33)27-17-13-28(22(25)32)18-9-5-4-8-16(17)18/h1-9,13,15,19-20,30H,10-12,24H2,(H2,25,32)(H,26,31)(H,27,33)/t15-,19-,20?/m0/s1
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Article
PubMed
n/an/a 2.48E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human complement factor D after 1 hr


ACS Med Chem Lett 3: 781-782 (2012)


Article DOI: 10.1021/ml300233n
BindingDB Entry DOI: 10.7270/Q2SJ1MSD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%