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Compile Data Set for Download or QSAR

Found 1461 hits with Last Name = 'cheng' and Initial = 'd'   
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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
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0.400 -53.6n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)

More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
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0.5 -53.1n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)

More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223986
PNG
((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12
Show InChI InChI=1/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/s2
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1 -51.4n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)

More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223985
PNG
(rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/s2
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4 -47.9n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)

More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223984
PNG
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C
Show InChI InChI=1/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/s2
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1.20E+3 -33.8n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)

More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223989
PNG
(A-395N (6))
Show SMILES CN(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1/C24H34N4O2S/c1-25(2)24-19-26(17-20-7-5-4-6-8-20)18-23(24)21-9-11-22(12-10-21)27-13-15-28(16-14-27)31(3,29)30/h4-12,23-24H,13-19H2,1-3H3/t23-,24+/s2
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1.83E+3 -32.7n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394402
PNG
(CHEMBL2160072)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1
Show InChI InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)24-9-10-25-22(14-24)12-13-32-29(25)34-23-8-11-27(31)26(15-23)30-33-16-28(35-30)21-6-4-3-5-7-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,34)(H,33,35)/t19-,20+
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394407
PNG
(CHEMBL2160077)
Show SMILES Clc1ccc(Nc2nccc3cc(ccc23)N2CCOCC2)cc1-c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H24ClN5O/c29-25-9-6-21(17-24(25)28-31-18-26(33-28)19-4-2-1-3-5-19)32-27-23-8-7-22(16-20(23)10-11-30-27)34-12-14-35-15-13-34/h1-11,16-18H,12-15H2,(H,30,32)(H,31,33)
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394403
PNG
(CHEMBL2160074)
Show SMILES C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1
Show InChI InChI=1S/C29H26ClN5O/c1-19-18-35(13-14-36-19)23-8-9-24-21(15-23)11-12-31-28(24)33-22-7-10-26(30)25(16-22)29-32-17-27(34-29)20-5-3-2-4-6-20/h2-12,15-17,19H,13-14,18H2,1H3,(H,31,33)(H,32,34)/t19-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394398
PNG
(CHEMBL2160068)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1
Show InChI InChI=1S/C29H27ClN6O/c1-18-16-36(17-19(2)37-18)27-11-9-22-25(34-27)12-13-31-28(22)33-21-8-10-24(30)23(14-21)29-32-15-26(35-29)20-6-4-3-5-7-20/h3-15,18-19H,16-17H2,1-2H3,(H,31,33)(H,32,35)/t18-,19+
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394395
PNG
(CHEMBL2160078)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1-c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c1-19-7-10-22(17-24(19)26-28-18-25(30-26)20-5-3-2-4-6-20)29-27(32)21-8-11-23(12-9-21)31-13-15-33-16-14-31/h2-12,17-18H,13-16H2,1H3,(H,28,30)(H,29,32)
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27912
PNG
(8-(4-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperid...)
Show SMILES CCc1ccc(cc1)-n1cc(C(=O)NOC)c(=O)c2cnc(Nc3ccc(cc3)C3CCN(C)CC3)nc12
Show InChI InChI=1S/C29H32N6O3/c1-4-19-5-11-23(12-6-19)35-18-25(28(37)33-38-3)26(36)24-17-30-29(32-27(24)35)31-22-9-7-20(8-10-22)21-13-15-34(2)16-14-21/h5-12,17-18,21H,4,13-16H2,1-3H3,(H,33,37)(H,30,31,32)
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n/an/a 0.300n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394400
PNG
(CHEMBL2160070)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)cccc2n1
Show InChI InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)29-14-12-23-26(9-6-10-27(23)34-29)33-22-11-13-25(31)24(15-22)30-32-16-28(35-30)21-7-4-3-5-8-21/h3-16,19-20,33H,17-18H2,1-2H3,(H,32,35)/t19-,20+
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394401
PNG
(CHEMBL2160071)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C30H28ClN5O/c1-19-17-36(18-20(2)37-19)23-9-10-24-27(12-13-32-28(24)15-23)34-22-8-11-26(31)25(14-22)30-33-16-29(35-30)21-6-4-3-5-7-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,34)(H,33,35)/t19-,20+
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27915
PNG
(8-(4,4-dimethylcyclohexyl)-N-methoxy-2-{[4-(1-meth...)
Show SMILES CONC(=O)c1cn(C2CCC(C)(C)CC2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O
Show InChI InChI=1S/C29H38N6O3/c1-29(2)13-9-22(10-14-29)35-18-24(27(37)33-38-4)25(36)23-17-30-28(32-26(23)35)31-21-7-5-19(6-8-21)20-11-15-34(3)16-12-20/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,33,37)(H,30,31,32)
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n/an/a 0.400n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27913
PNG
(8-(3-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperid...)
Show SMILES CCc1cccc(c1)-n1cc(C(=O)NOC)c(=O)c2cnc(Nc3ccc(cc3)C3CCN(C)CC3)nc12
Show InChI InChI=1S/C29H32N6O3/c1-4-19-6-5-7-23(16-19)35-18-25(28(37)33-38-3)26(36)24-17-30-29(32-27(24)35)31-22-10-8-20(9-11-22)21-12-14-34(2)15-13-21/h5-11,16-18,21H,4,12-15H2,1-3H3,(H,33,37)(H,30,31,32)
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n/an/a 0.400n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27909
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-{[4-(1-m...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O
Show InChI InChI=1S/C30H32N6O3/c1-35-14-12-21(13-15-35)20-6-9-23(10-7-20)32-30-31-17-25-27(37)26(29(38)34-39-2)18-36(28(25)33-30)24-11-8-19-4-3-5-22(19)16-24/h6-11,16-18,21H,3-5,12-15H2,1-2H3,(H,34,38)(H,31,32,33)
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n/an/a 0.400n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27897
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[2-(4-methylpi...)
Show SMILES CC(C)ONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
Show InChI InChI=1S/C33H39N7O3/c1-22(2)43-37-32(42)29-21-40(27-12-9-24-5-4-6-25(24)19-27)31-28(30(29)41)20-34-33(36-31)35-26-10-7-23(8-11-26)13-14-39-17-15-38(3)16-18-39/h7-12,19-22H,4-6,13-18H2,1-3H3,(H,37,42)(H,34,35,36)
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n/an/a 0.5n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27896
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-ethoxy-2-({4-[2-(4...)
Show SMILES CCONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
Show InChI InChI=1S/C32H37N7O3/c1-3-42-36-31(41)28-21-39(26-12-9-23-5-4-6-24(23)19-26)30-27(29(28)40)20-33-32(35-30)34-25-10-7-22(8-11-25)13-14-38-17-15-37(2)16-18-38/h7-12,19-21H,3-6,13-18H2,1-2H3,(H,36,41)(H,33,34,35)
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Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27906
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-{[...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCNCC3)ncc2c1=O
Show InChI InChI=1S/C29H30N6O3/c1-38-34-28(37)25-17-35(23-10-7-18-3-2-4-21(18)15-23)27-24(26(25)36)16-31-29(33-27)32-22-8-5-19(6-9-22)20-11-13-30-14-12-20/h5-10,15-17,20,30H,2-4,11-14H2,1H3,(H,34,37)(H,31,32,33)
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n/an/a 0.5n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394405
PNG
(CHEMBL2160076)
Show SMILES Clc1ccc(Nc2nccc3cc(ccc23)N2CCCCC2)cc1-c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H26ClN5/c30-26-12-9-22(18-25(26)29-32-19-27(34-29)20-7-3-1-4-8-20)33-28-24-11-10-23(17-21(24)13-14-31-28)35-15-5-2-6-16-35/h1,3-4,7-14,17-19H,2,5-6,15-16H2,(H,31,33)(H,32,34)
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n/an/a 0.600n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394397
PNG
(CHEMBL2160067)
Show SMILES C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1
Show InChI InChI=1S/C28H25ClN6O/c1-18-17-35(13-14-36-18)26-10-8-21-24(33-26)11-12-30-27(21)32-20-7-9-23(29)22(15-20)28-31-16-25(34-28)19-5-3-2-4-6-19/h2-12,15-16,18H,13-14,17H2,1H3,(H,30,32)(H,31,34)/t18-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394396
PNG
(CHEMBL2160079)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)-c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O3/c1-16-9-10-19(27-25(29)18-11-20(30-2)14-21(12-18)31-3)13-22(16)24-26-15-23(28-24)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,26,28)(H,27,29)
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27895
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-({4-[2-(...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
Show InChI InChI=1S/C31H35N7O3/c1-36-14-16-37(17-15-36)13-12-21-6-9-24(10-7-21)33-31-32-19-26-28(39)27(30(40)35-41-2)20-38(29(26)34-31)25-11-8-22-4-3-5-23(22)18-25/h6-11,18-20H,3-5,12-17H2,1-2H3,(H,35,40)(H,32,33,34)
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n/an/a 0.700n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27910
PNG
(2-{[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3(F)F)ncc2c1=O
Show InChI InChI=1S/C30H30F2N6O3/c1-37-13-12-25(30(31,32)17-37)19-6-9-21(10-7-19)34-29-33-15-23-26(39)24(28(40)36-41-2)16-38(27(23)35-29)22-11-8-18-4-3-5-20(18)14-22/h6-11,14-16,25H,3-5,12-13,17H2,1-2H3,(H,36,40)(H,33,34,35)
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n/an/a 0.700n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27894
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc4c(n3)n(cc(C(=O)NCCO)c4=O)-c3ccc4CCCc4c3)cc2)CC1
Show InChI InChI=1S/C32H37N7O3/c1-37-14-16-38(17-15-37)13-11-22-5-8-25(9-6-22)35-32-34-20-27-29(41)28(31(42)33-12-18-40)21-39(30(27)36-32)26-10-7-23-3-2-4-24(23)19-26/h5-10,19-21,40H,2-4,11-18H2,1H3,(H,33,42)(H,34,35,36)
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n/an/a 0.700n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27903
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-({...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCNC(=O)C4)cc3)ncc2c1=O
Show InChI InChI=1S/C30H31N7O4/c1-41-35-29(40)25-17-37(23-10-7-20-3-2-4-21(20)15-23)28-24(27(25)39)16-32-30(34-28)33-22-8-5-19(6-9-22)11-13-36-14-12-31-26(38)18-36/h5-10,15-17H,2-4,11-14,18H2,1H3,(H,31,38)(H,35,40)(H,32,33,34)
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n/an/a 0.800n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27911
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-2-{[3-(1-ethyl-3-hyd...)
Show SMILES CCN1CCCC(O)(C1)c1cccc(Nc2ncc3c(n2)n(cc(C(=O)NOC)c3=O)-c2ccc3CCCc3c2)c1
Show InChI InChI=1S/C31H34N6O4/c1-3-36-14-6-13-31(40,19-36)22-9-5-10-23(16-22)33-30-32-17-25-27(38)26(29(39)35-41-2)18-37(28(25)34-30)24-12-11-20-7-4-8-21(20)15-24/h5,9-12,15-18,40H,3-4,6-8,13-14,19H2,1-2H3,(H,35,39)(H,32,33,34)
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n/an/a 0.800n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27890
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[2-(4-methylpi...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc4c(n3)n(cc(C(N)=O)c4=O)-c3ccc4CCCc4c3)cc2)CC1
Show InChI InChI=1S/C30H33N7O2/c1-35-13-15-36(16-14-35)12-11-20-5-8-23(9-6-20)33-30-32-18-25-27(38)26(28(31)39)19-37(29(25)34-30)24-10-7-21-3-2-4-22(21)17-24/h5-10,17-19H,2-4,11-16H2,1H3,(H2,31,39)(H,32,33,34)
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n/an/a 0.800n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27917
PNG
(4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylp...)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1cc(c[nH]1)C#N)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6O/c1-17-5-7-29(8-6-17)22-14-19(28-11-9-27(2)10-12-28)3-4-20(22)26-23(30)21-13-18(15-24)16-25-21/h3-4,13-14,16-17,25H,5-12H2,1-2H3,(H,26,30)
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n/an/a 0.800n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27904
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-({4-[2-(...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)C(=O)C4)cc3)ncc2c1=O
Show InChI InChI=1S/C31H33N7O4/c1-36-14-15-37(19-27(36)39)13-12-20-6-9-23(10-7-20)33-31-32-17-25-28(40)26(30(41)35-42-2)18-38(29(25)34-31)24-11-8-21-4-3-5-22(21)16-24/h6-11,16-18H,3-5,12-15,19H2,1-2H3,(H,35,41)(H,32,33,34)
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n/an/a 0.800n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201358
PNG
(US9187424, 122)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(O)cc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1/C30H26F6N2O4/c1-18-3-5-19(6-4-18)24-17-28(30(34,35)36,20-7-13-23(14-8-20)42-16-2-15-29(31,32)33)38-27(41)25(24)26(40)37-21-9-11-22(39)12-10-21/h3-14,39H,2,15-17H2,1H3,(H,37,40)(H,38,41)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201507
PNG
(US9187424, 274)
Show SMILES FC(F)Oc1ccc(cc1)C1=C(c2nn[nH]n2)C(=O)NC(C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F
Show InChI InChI=1/C26H22F9N5O3/c27-19-12-16(42-11-3-1-2-10-25(30,31)32)8-9-18(19)24(26(33,34)35)13-17(14-4-6-15(7-5-14)43-23(28)29)20(22(41)36-24)21-37-39-40-38-21/h4-9,12,23H,1-3,10-11,13H2,(H,36,41)(H,37,38,39,40)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201322
PNG
(US9187424, 86)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(cc2)C(F)(F)F)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1/C31H25F9N2O3/c1-18-3-5-19(6-4-18)24-17-28(31(38,39)40,20-9-13-23(14-10-20)45-16-2-15-29(32,33)34)42-27(44)25(24)26(43)41-22-11-7-21(8-12-22)30(35,36)37/h3-14H,2,15-17H2,1H3,(H,41,43)(H,42,44)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201319
PNG
(US9187424, 83)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1/C31H25F9N2O4/c1-18-3-5-19(6-4-18)24-17-28(30(35,36)37,20-7-11-22(12-8-20)45-16-2-15-29(32,33)34)42-27(44)25(24)26(43)41-21-9-13-23(14-10-21)46-31(38,39)40/h3-14H,2,15-17H2,1H3,(H,41,43)(H,42,44)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201537
PNG
(US9187424, 304 | US9187424, 309)
Show SMILES Fc1cc(ccc1OCCCCCC(F)(F)F)C1(CC(=C(c2nn[nH]n2)C(=O)N1)c1ccc2ccccc2c1)C(F)(F)F
Show InChI InChI=1/C29H24F7N5O2/c30-22-15-20(10-11-23(22)43-13-5-1-4-12-28(31,32)33)27(29(34,35)36)16-21(24(26(42)37-27)25-38-40-41-39-25)19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,37,42)(H,38,39,40,41)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201365
PNG
(US9187424, 130)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccno2)C(=O)NC(C1)(c1ccc(OCCC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1/C26H21F6N3O4/c1-15-2-4-16(5-3-15)19-14-24(26(30,31)32,17-6-8-18(9-7-17)38-13-11-25(27,28)29)35-23(37)21(19)22(36)34-20-10-12-33-39-20/h2-10,12H,11,13-14H2,1H3,(H,34,36)(H,35,37)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM27890
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[2-(4-methylpi...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc4c(n3)n(cc(C(N)=O)c4=O)-c3ccc4CCCc4c3)cc2)CC1
Show InChI InChI=1S/C30H33N7O2/c1-35-13-15-36(16-14-35)12-11-20-5-8-23(9-6-20)33-30-32-18-25-27(38)26(28(31)39)19-37(29(25)34-30)24-10-7-21-3-2-4-22(21)17-24/h5-10,17-19H,2-4,11-16H2,1H3,(H2,31,39)(H,32,33,34)
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
FLT-3 was assayed using a fluorescence polarization (FP) competition immunoassay that measured FLT-3 phosphorylation of polyGlu4Tyr. The reaction was...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27891
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-({4-[2-(4...)
Show SMILES CNC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
Show InChI InChI=1S/C31H35N7O2/c1-32-30(40)27-20-38(25-11-8-22-4-3-5-23(22)18-25)29-26(28(27)39)19-33-31(35-29)34-24-9-6-21(7-10-24)12-13-37-16-14-36(2)15-17-37/h6-11,18-20H,3-5,12-17H2,1-2H3,(H,32,40)(H,33,34,35)
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n/an/a 1.20n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27907
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[1-(2-hydroxye...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(CCO)CC3)ncc2c1=O
Show InChI InChI=1S/C31H34N6O4/c1-41-35-30(40)27-19-37(25-10-7-20-3-2-4-23(20)17-25)29-26(28(27)39)18-32-31(34-29)33-24-8-5-21(6-9-24)22-11-13-36(14-12-22)15-16-38/h5-10,17-19,22,38H,2-4,11-16H2,1H3,(H,35,40)(H,32,33,34)
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n/an/a 1.30n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27901
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-({4-[2-(...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2c1=O
Show InChI InChI=1S/C30H32N6O4/c1-39-34-29(38)26-19-36(24-10-7-21-3-2-4-22(21)17-24)28-25(27(26)37)18-31-30(33-28)32-23-8-5-20(6-9-23)11-12-35-13-15-40-16-14-35/h5-10,17-19H,2-4,11-16H2,1H3,(H,34,38)(H,31,32,33)
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n/an/a 1.30n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27892
PNG
(8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-({4-[2-(m...)
Show SMILES CNC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2c1=O
Show InChI InChI=1S/C30H32N6O3/c1-31-29(38)26-19-36(24-10-7-21-3-2-4-22(21)17-24)28-25(27(26)37)18-32-30(34-28)33-23-8-5-20(6-9-23)11-12-35-13-15-39-16-14-35/h5-10,17-19H,2-4,11-16H2,1H3,(H,31,38)(H,32,33,34)
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n/an/a 1.40n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394403
PNG
(CHEMBL2160074)
Show SMILES C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2c1
Show InChI InChI=1S/C29H26ClN5O/c1-19-18-35(13-14-36-19)23-8-9-24-21(15-23)11-12-31-28(24)33-22-7-10-26(30)25(16-22)29-32-17-27(34-29)20-5-3-2-4-6-20/h2-12,15-17,19H,13-14,18H2,1H3,(H,31,33)(H,32,34)/t19-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prio...


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50394397
PNG
(CHEMBL2160067)
Show SMILES C[C@@H]1CN(CCO1)c1ccc2c(Nc3ccc(Cl)c(c3)-c3nc(c[nH]3)-c3ccccc3)nccc2n1
Show InChI InChI=1S/C28H25ClN6O/c1-18-17-35(13-14-36-18)26-10-8-21-24(33-26)11-12-30-27(21)32-20-7-9-23(29)22(15-20)28-31-16-25(34-28)19-5-3-2-4-6-19/h2-12,15-16,18H,13-14,17H2,1H3,(H,30,32)(H,31,34)/t18-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 22: 6573-6 (2012)

More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (human))
BDBM27902
PNG
(2-({4-[2-(4,4-difluoropiperidin-1-yl)ethyl]phenyl}...)
Show SMILES CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCC(F)(F)CC4)cc3)ncc2c1=O
Show InChI InChI=1S/C31H32F2N6O3/c1-42-37-29(41)26-19-39(24-10-7-21-3-2-4-22(21)17-24)28-25(27(26)40)18-34-30(36-28)35-23-8-5-20(6-9-23)11-14-38-15-12-31(32,33)13-16-38/h5-10,17-19H,2-4,11-16H2,1H3,(H,37,41)(H,34,35,36)
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n/an/a 1.70n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The ...


J Med Chem 52: 1081-99 (2009)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201509
PNG
(US9187424, 276)
Show SMILES Fc1cc(OCCCCCC(F)(F)F)ccc1C1(CC(=C(c2nn[nH]n2)C(=O)N1)c1ccc2ccccc2c1)C(F)(F)F
Show InChI InChI=1/C29H24F7N5O2/c30-23-15-20(43-13-5-1-4-12-28(31,32)33)10-11-22(23)27(29(34,35)36)16-21(24(26(42)37-27)25-38-40-41-39-25)19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,37,42)(H,38,39,40,41)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201508
PNG
(US9187424, 275)
Show SMILES FC(F)Oc1ccc(cc1)C1=C(NC(=O)c2ccncc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1/C29H23F8N3O4/c30-26(31)44-21-6-2-17(3-7-21)22-16-27(29(35,36)37,19-4-8-20(9-5-19)43-15-1-12-28(32,33)34)40-25(42)23(22)39-24(41)18-10-13-38-14-11-18/h2-11,13-14,26H,1,12,15-16H2,(H,39,41)(H,40,42)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201510
PNG
(US9187424, 277)
Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1C1(CC(=C(c2nn[nH]n2)C(=O)N1)c1ccc(CC2CC2)cc1)C(F)(F)F
Show InChI InChI=1/C27H24F7N5O2/c28-21-13-18(41-11-1-10-26(29,30)31)8-9-20(21)25(27(32,33)34)14-19(22(24(40)35-25)23-36-38-39-37-23)17-6-4-16(5-7-17)12-15-2-3-15/h4-9,13,15H,1-3,10-12,14H2,(H,35,40)(H,36,37,38,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201511
PNG
(US9187424, 278)
Show SMILES Cc1ccc(cc1)C1=C(c2nn[nH]n2)C(=O)NC(C1)(c1ccc(OCCCCC(F)(F)F)cc1F)C(F)(F)F
Show InChI InChI=1/C25H22F7N5O2/c1-14-4-6-15(7-5-14)17-13-23(25(30,31)32,33-22(38)20(17)21-34-36-37-35-21)18-9-8-16(12-19(18)26)39-11-3-2-10-24(27,28)29/h4-9,12H,2-3,10-11,13H2,1H3,(H,33,38)(H,34,35,36,37)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201512
PNG
(US9187424, 279)
Show SMILES Cc1ccc(cc1)C1=C(NC(=O)CS(C)(=O)=O)C(=O)NC(C1)(c1ccc(OCc2ccccc2)cc1)C(F)(F)F
Show InChI InChI=1/C29H27F3N2O5S/c1-19-8-10-21(11-9-19)24-16-28(29(30,31)32,34-27(36)26(24)33-25(35)18-40(2,37)38)22-12-14-23(15-13-22)39-17-20-6-4-3-5-7-20/h3-15H,16-18H2,1-2H3,(H,33,35)(H,34,36)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


Citation and Details
More data for this
Ligand-Target Pair
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