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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Interleukin-10 (IL-10)' AND taxid = 9606   
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
Interleukin-10 (IL-10)


(Homo sapiens (Human))
BDBM192712
PNG
(HG-9-91-01 (1))
Show SMILES COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(cc3)N3CCN(C)CC3)ncn2)c(OC)c1
Show InChI InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
PDB

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PC sid
UniChem
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Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Broad Institute



Assay Description
Concentration-dependent effects of HG-9-91-01 analogs on IL-10 release and cellular cytotoxicity in Zymosan A-stimulated BMDCs were measured using Al...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair
Interleukin-10 (IL-10)


(Homo sapiens (Human))
BDBM192713
PNG
(HG-9-91-01 derivative, 2)
Show SMILES COc1ccc(N2C(=O)N(Cc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc23)c2c(C)cccc2Cl)c(OC)c1
Show InChI InChI=1S/C32H34ClN7O3/c1-21-6-5-7-26(33)29(21)39-20-22-19-34-31(35-23-8-10-24(11-9-23)38-16-14-37(2)15-17-38)36-30(22)40(32(39)41)27-13-12-25(42-3)18-28(27)43-4/h5-13,18-19H,14-17,20H2,1-4H3,(H,34,35,36)
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UniChem

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PubMed
n/an/an/an/a 3n/an/an/an/a



Broad Institute



Assay Description
Concentration-dependent effects of HG-9-91-01 analogs on IL-10 release and cellular cytotoxicity in Zymosan A-stimulated BMDCs were measured using Al...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair
Interleukin-10 (IL-10)


(Homo sapiens (Human))
BDBM192714
PNG
(YKL-05-095 (3))
Show SMILES COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)c1c(C)cccc1Cl
Show InChI InChI=1S/C30H31ClN8O2/c1-20-5-4-6-25(31)27(20)38-19-21-17-33-29(34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37)35-28(21)39(30(38)40)26-12-11-24(41-3)18-32-26/h4-12,17-18H,13-16,19H2,1-3H3,(H,33,34,35)
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UniChem

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n/an/an/an/a 11n/an/an/an/a



Broad Institute



Assay Description
Concentration-dependent effects of HG-9-91-01 analogs on IL-10 release and cellular cytotoxicity in Zymosan A-stimulated BMDCs were measured using Al...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair
Interleukin-10 (IL-10)


(Homo sapiens (Human))
BDBM192718
PNG
(HG-9-91-01 derivative, 7)
Show SMILES COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3OC(C)C)C3CCN(C)CC3)nc12)c1c(C)cccc1C
Show InChI InChI=1S/C35H41N7O3/c1-22(2)45-30-18-26(25-14-16-40(5)17-15-25)10-12-29(30)38-34-37-19-27-21-41(32-23(3)8-7-9-24(32)4)35(43)42(33(27)39-34)31-13-11-28(44-6)20-36-31/h7-13,18-20,22,25H,14-17,21H2,1-6H3,(H,37,38,39)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Broad Institute



Assay Description
Concentration-dependent effects of HG-9-91-01 analogs on IL-10 release and cellular cytotoxicity in Zymosan A-stimulated BMDCs were measured using Al...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair
Interleukin-10 (IL-10)


(Homo sapiens (Human))
BDBM192716
PNG
(YKL-05-099 (5))
Show SMILES COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nc12)c1c(C)cccc1Cl
Show InChI InChI=1S/C32H34ClN7O3/c1-20-6-5-7-25(33)29(20)39-19-23-17-35-31(37-30(23)40(32(39)41)28-11-9-24(42-3)18-34-28)36-26-10-8-22(16-27(26)43-4)21-12-14-38(2)15-13-21/h5-11,16-18,21H,12-15,19H2,1-4H3,(H,35,36,37)
PDB

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PC sid
UniChem

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PubMed
n/an/an/an/a 460n/an/an/an/a



Broad Institute



Assay Description
Concentration-dependent effects of HG-9-91-01 analogs on IL-10 release and cellular cytotoxicity in Zymosan A-stimulated BMDCs were measured using Al...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair
Interleukin-10 (IL-10)


(Homo sapiens (Human))
BDBM192717
PNG
(HG-9-91-01 derivative, 6)
Show SMILES CCOc1cc(ccc1Nc1ncc2CN(C(=O)N(c3ccc(OC)cn3)c2n1)c1c(C)cccc1Cl)C1CCN(C)CC1
Show InChI InChI=1S/C33H36ClN7O3/c1-5-44-28-17-23(22-13-15-39(3)16-14-22)9-11-27(28)37-32-36-18-24-20-40(30-21(2)7-6-8-26(30)34)33(42)41(31(24)38-32)29-12-10-25(43-4)19-35-29/h6-12,17-19,22H,5,13-16,20H2,1-4H3,(H,36,37,38)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Broad Institute



Assay Description
Concentration-dependent effects of HG-9-91-01 analogs on IL-10 release and cellular cytotoxicity in Zymosan A-stimulated BMDCs were measured using Al...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair
Interleukin-10 (IL-10)


(Homo sapiens (Human))
BDBM192715
PNG
(YKL-05-096 (4))
Show SMILES COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12)c1c(C)cccc1Cl
Show InChI InChI=1S/C31H33ClN8O3/c1-20-6-5-7-24(32)28(20)39-19-21-17-34-30(36-29(21)40(31(39)41)27-11-9-23(42-3)18-33-27)35-25-10-8-22(16-26(25)43-4)38-14-12-37(2)13-15-38/h5-11,16-18H,12-15,19H2,1-4H3,(H,34,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Broad Institute



Assay Description
Concentration-dependent effects of HG-9-91-01 analogs on IL-10 release and cellular cytotoxicity in Zymosan A-stimulated BMDCs were measured using Al...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair