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24 similar compounds to monomer 50200677

Compile data set for download or QSAR
Wt: 424.4
BDBM50200674
Wt: 452.5
BDBM50200675
Wt: 564.6
BDBM50200676
Wt: 453.5
BDBM50200680
Wt: 466.5
BDBM50200683
Wt: 438.5
BDBM50200685
Wt: 467.5
BDBM50200688
Wt: 510.5
BDBM50200690
Wt: 558.6
BDBM50200691
Wt: 582.6
BDBM50200692
Wt: 583.1
BDBM50200694
Wt: 480.5
BDBM50200698
Wt: 414.4
BDBM50200661
Wt: 420.4
BDBM50200663
Wt: 504.8
BDBM50200664
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50200674,50200675,50200676,50200680,50200683,50200685,50200688,50200690,50200691,50200692,50200694,50200698,50200661,50200663,50200664   
Target/Host
(Institution)
LigandTarget/Host
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200664
PNG
(CHEMBL3983022)
Show SMILES C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C24H20ClF3N4O3/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-34-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/s2
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n/an/a 5n/an/an/an/an/an/a



Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200698
PNG
(CHEMBL3908023)
Show SMILES COc1cc(CN(CC(C)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1/C27H32N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,19H,8-13,16-17H2,1-3H3
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n/an/a 202n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200661
PNG
(CHEMBL3907905)
Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccccc3)nc3cccnc23)cc1
Show InChI InChI=1/C25H26N4O2/c1-18(20-7-4-3-5-8-20)27-24(30)15-14-23-28-22-9-6-16-26-25(22)29(23)17-19-10-12-21(31-2)13-11-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,30)/t18-/s2
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n/an/a 17n/an/an/an/an/an/a



Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200664
PNG
(CHEMBL3983022)
Show SMILES C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C24H20ClF3N4O3/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-34-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/s2
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n/an/a 99n/an/an/an/an/an/a



Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200663
PNG
(CHEMBL3934551)
Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1/C24H22F2N4O/c1-16(18-4-8-20(26)9-5-18)28-24(31)11-10-23-29-21-12-13-27-14-22(21)30(23)15-17-2-6-19(25)7-3-17/h2-9,12-14,16H,10-11,15H2,1H3,(H,28,31)/t16-/s2
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n/an/a 333n/an/an/an/an/an/a



Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200661
PNG
(CHEMBL3907905)
Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccccc3)nc3cccnc23)cc1
Show InChI InChI=1/C25H26N4O2/c1-18(20-7-4-3-5-8-20)27-24(30)15-14-23-28-22-9-6-16-26-25(22)29(23)17-19-10-12-21(31-2)13-11-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,30)/t18-/s2
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n/an/a 318n/an/an/an/an/an/a



Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200674
PNG
(CHEMBL3981384)
Show SMILES COc1cc(CNC(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1/C24H28N2O5/c1-16(18-4-6-20-19(14-18)9-11-30-20)25-15-17-3-5-21(22(13-17)29-2)31-12-10-26-23(27)7-8-24(26)28/h3-6,13-14,16,25H,7-12,15H2,1-2H3
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n/an/a 607n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200675
PNG
(CHEMBL3938584)
Show SMILES CCCC(NCc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show InChI InChI=1/C26H32N2O5/c1-3-4-21(19-6-8-22-20(16-19)11-13-32-22)27-17-18-5-7-23(24(15-18)31-2)33-14-12-28-25(29)9-10-26(28)30/h5-8,15-16,21,27H,3-4,9-14,17H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200676
PNG
(CHEMBL3962863)
Show SMILES COc1cc(CN(CCCC(O)=O)C(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1/C32H40N2O7/c1-39-28-19-22(8-10-27(28)41-18-16-34-29(35)12-13-30(34)36)21-33(15-4-7-31(37)38)32(23-5-2-3-6-23)25-9-11-26-24(20-25)14-17-40-26/h8-11,19-20,23,32H,2-7,12-18,21H2,1H3,(H,37,38)
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n/an/a 382n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200680
PNG
(CHEMBL3922847)
Show SMILES COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CN(C)C1=O
Show InChI InChI=1/C25H31N3O5/c1-17(19-6-8-21-20(14-19)9-11-32-21)26(2)15-18-5-7-22(23(13-18)31-4)33-12-10-28-24(29)16-27(3)25(28)30/h5-8,13-14,17H,9-12,15-16H2,1-4H3
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n/an/a 202n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200683
PNG
(CHEMBL3920319)
Show SMILES CCCC(N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show InChI InChI=1/C27H34N2O5/c1-4-5-22(20-7-9-23-21(17-20)12-14-33-23)28(2)18-19-6-8-24(25(16-19)32-3)34-15-13-29-26(30)10-11-27(29)31/h6-9,16-17,22H,4-5,10-15,18H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200685
PNG
(CHEMBL3965887)
Show SMILES COc1cc(CNC(C)(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C25H30N2O5/c1-25(2,19-5-7-20-18(15-19)10-12-31-20)26-16-17-4-6-21(22(14-17)30-3)32-13-11-27-23(28)8-9-24(27)29/h4-7,14-15,26H,8-13,16H2,1-3H3
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n/an/a 780n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200688
PNG
(CHEMBL3929553)
Show SMILES COc1cc(CN(CCN)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1/C26H33N3O5/c1-18(20-4-6-22-21(16-20)9-13-33-22)28(11-10-27)17-19-3-5-23(24(15-19)32-2)34-14-12-29-25(30)7-8-26(29)31/h3-6,15-16,18H,7-14,17,27H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200690
PNG
(CHEMBL3986823)
Show SMILES COc1cc(CN(CCCC(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1/C28H34N2O7/c1-19(21-6-8-23-22(17-21)11-14-36-23)29(12-3-4-28(33)34)18-20-5-7-24(25(16-20)35-2)37-15-13-30-26(31)9-10-27(30)32/h5-8,16-17,19H,3-4,9-15,18H2,1-2H3,(H,33,34)
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n/an/a 210n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200691
PNG
(CHEMBL3973261)
Show SMILES COc1cc(CN(Cc2ccc(cc2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1/C32H34N2O7/c1-21(25-8-10-27-26(18-25)13-15-40-27)33(19-22-3-6-24(7-4-22)32(37)38)20-23-5-9-28(29(17-23)39-2)41-16-14-34-30(35)11-12-31(34)36/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,37,38)
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n/an/a 120n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200692
PNG
(CHEMBL3981260)
Show SMILES COc1cc(CN(Cc2ccc(cc2)-c2nnn[nH]2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1/C32H34N6O5/c1-21(25-8-10-27-26(18-25)13-15-42-27)37(19-22-3-6-24(7-4-22)32-33-35-36-34-32)20-23-5-9-28(29(17-23)41-2)43-16-14-38-30(39)11-12-31(38)40/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,33,34,35,36)
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n/an/a 126n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50200694
PNG
(CHEMBL3932217)
Show SMILES COC(=O)[C@H]1CC[C@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)[C@H]2CCc3cc(Cl)ccc23)CC1
Show InChI InChI=1/C32H39ClN2O6/c1-39-29-17-22(5-12-28(29)41-16-15-35-30(36)13-14-31(35)37)20-34(19-21-3-6-23(7-4-21)32(38)40-2)27-11-8-24-18-25(33)9-10-26(24)27/h5,9-10,12,17-18,21,23,27H,3-4,6-8,11,13-16,19-20H2,1-2H3/t21-,23-,27-/s2
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n/an/a 840n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200663
PNG
(CHEMBL3934551)
Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1/C24H22F2N4O/c1-16(18-4-8-20(26)9-5-18)28-24(31)11-10-23-29-21-12-13-27-14-22(21)30(23)15-17-2-6-19(25)7-3-17/h2-9,12-14,16H,10-11,15H2,1H3,(H,28,31)/t16-/s2
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n/an/a 52n/an/an/an/an/an/a



Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair