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3 similar compounds to monomer 192716

Wt: 601.0
BDBM192715
Wt: 614.1
BDBM192717
Wt: 607.7
BDBM192718

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 192715,192717,192718   
Target
(Institution)
LigandTarget
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
Salt-inducible kinase 2 (SIK2)


(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)
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n/an/a 34n/an/an/an/an/an/a



Broad Institute



Assay Description
IC50‘s for HG-9-91-01 derivatives were measured by Caliper-based mobility shift assay (PerkinElmer). For these experiments, full length His6-MBP...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair
Salt-inducible kinase 2 (SIK2)


(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)
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n/an/a 150n/an/an/an/an/an/a



Broad Institute



Assay Description
IC50‘s for HG-9-91-01 derivatives were measured by Caliper-based mobility shift assay (PerkinElmer). For these experiments, full length His6-MBP...


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)
PDB

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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))
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

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Article
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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
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

GoogleScholar
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PC cid
PC sid
UniChem

Similars

AffyNet 
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
Salt-inducible kinase 2 (SIK2)


(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)
UniProtKB/SwissProt

antibodypedia
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UniChem

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Article
PubMed
n/an/a>7.00E+3n/an/an/an/an/an/a



Broad Institute



Assay Description
IC50‘s for HG-9-91-01 derivatives were measured by Caliper-based mobility shift assay (PerkinElmer). For these experiments, full length His6-MBP...


ACS Chem Biol 11: 2105-11 (2016)

More data for this
Ligand-Target Pair