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16 similar compounds to monomer 50446640

Compile data set for download or QSAR
Wt: 623.0
BDBM50446633
Wt: 569.1
BDBM50446634
Wt: 583.1
BDBM50446635
Wt: 581.1
BDBM50446636
Wt: 569.1
BDBM50446637
Wt: 609.0
BDBM50446638
Wt: 555.0
BDBM50446639
Wt: 590.5
BDBM50446641
Wt: 576.4
BDBM50446642
Wt: 606.5
BDBM50446643
Wt: 590.5
BDBM50446644
Wt: 640.5
BDBM50446645
Wt: 562.4
BDBM50446646
Wt: 577.4
BDBM50446647
Wt: 587.5
BDBM50446648
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50446633,50446634,50446635,50446636,50446637,50446638,50446639,50446641,50446642,50446643,50446644,50446645,50446646,50446647,50446648   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446633
PNG
(CHEMBL3116494)
Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C(F)(F)F
Show InChI InChI=1S/C27H34ClF3N10O2/c1-4-16-14-40(23-21(27(29,30)31)35-19(12-34-23)24-37-38-26(43-24)33-5-2)15(3)13-41(16)17-8-10-39(11-9-17)25(42)18-6-7-20(28)36-22(18)32/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3,(H2,32,36)(H,33,38)/t15-,16+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446648
PNG
(CHEMBL3116479)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C26H32Cl2N10O2/c1-2-15-13-37(23-20(28)32-19(22(30)33-23)25-35-34-24(40-25)14-3-4-14)11-12-38(15)16-7-9-36(10-8-16)26(39)17-5-6-18(27)31-21(17)29/h5-6,14-16H,2-4,7-13H2,1H3,(H2,29,31)(H2,30,33)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446635
PNG
(CHEMBL3116492)
Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C(C)C
Show InChI InChI=1S/C28H39ClN10O2/c1-5-18-16-38(25-23(17(3)4)33-21(15-32-25)26-35-36-28(41-26)31-6-2)13-14-39(18)19-9-11-37(12-10-19)27(40)20-7-8-22(29)34-24(20)30/h7-8,15,17-19H,5-6,9-14,16H2,1-4H3,(H2,30,34)(H,31,36)/t18-/m0/s1
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n/an/a 437n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446636
PNG
(CHEMBL3116491)
Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C1CC1
Show InChI InChI=1S/C28H37ClN10O2/c1-3-18-16-38(25-23(17-5-6-17)33-21(15-32-25)26-35-36-28(41-26)31-4-2)13-14-39(18)19-9-11-37(12-10-19)27(40)20-7-8-22(29)34-24(20)30/h7-8,15,17-19H,3-6,9-14,16H2,1-2H3,(H2,30,34)(H,31,36)/t18-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446637
PNG
(CHEMBL3116490)
Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(CC)n1
Show InChI InChI=1S/C27H37ClN10O2/c1-4-17-16-37(24-20(5-2)32-21(15-31-24)25-34-35-27(40-25)30-6-3)13-14-38(17)18-9-11-36(12-10-18)26(39)19-7-8-22(28)33-23(19)29/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H2,29,33)(H,30,35)/t17-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446638
PNG
(CHEMBL3116489)
Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C(F)(F)F
Show InChI InChI=1S/C26H32ClF3N10O2/c1-3-15-14-39(22-20(26(28,29)30)34-18(13-33-22)23-36-37-25(42-23)32-4-2)11-12-40(15)16-7-9-38(10-8-16)24(41)17-5-6-19(27)35-21(17)31/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,31,35)(H,32,37)/t15-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446639
PNG
(CHEMBL3116488)
Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(C)n1
Show InChI InChI=1S/C26H35ClN10O2/c1-4-17-15-36(23-16(3)31-20(14-30-23)24-33-34-26(39-24)29-5-2)12-13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28/h6-7,14,17-18H,4-5,8-13,15H2,1-3H3,(H2,28,32)(H,29,34)/t17-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446641
PNG
(CHEMBL3116486)
Show SMILES CCNc1nnc(o1)-c1nc(Cl)c(nc1N)N1CCN([C@@H](CC)C1)C1CCN(CC1)C(=O)c1ccc(Cl)nc1N
Show InChI InChI=1S/C25H33Cl2N11O2/c1-3-14-13-37(22-19(27)32-18(21(29)33-22)23-34-35-25(40-23)30-4-2)11-12-38(14)15-7-9-36(10-8-15)24(39)16-5-6-17(26)31-20(16)28/h5-6,14-15H,3-4,7-13H2,1-2H3,(H2,28,31)(H2,29,33)(H,30,35)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446642
PNG
(CHEMBL3116485)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(NC)o1
Show InChI InChI=1S/C24H31Cl2N11O2/c1-3-13-12-36(21-18(26)31-17(20(28)32-21)22-33-34-24(29-2)39-22)10-11-37(13)14-6-8-35(9-7-14)23(38)15-4-5-16(25)30-19(15)27/h4-5,13-14H,3,6-12H2,1-2H3,(H2,27,30)(H2,28,32)(H,29,34)/t13-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446643
PNG
(CHEMBL3116484)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(NCCO)o1
Show InChI InChI=1S/C25H33Cl2N11O3/c1-2-14-13-37(22-19(27)32-18(21(29)33-22)23-34-35-25(41-23)30-7-12-39)10-11-38(14)15-5-8-36(9-6-15)24(40)16-3-4-17(26)31-20(16)28/h3-4,14-15,39H,2,5-13H2,1H3,(H2,28,31)(H2,29,33)(H,30,35)/t14-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446644
PNG
(CHEMBL3116483)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(o1)N(C)C
Show InChI InChI=1S/C25H33Cl2N11O2/c1-4-14-13-37(22-19(27)31-18(21(29)32-22)23-33-34-25(40-23)35(2)3)11-12-38(14)15-7-9-36(10-8-15)24(39)16-5-6-17(26)30-20(16)28/h5-6,14-15H,4,7-13H2,1-3H3,(H2,28,30)(H2,29,32)/t14-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446645
PNG
(CHEMBL3116482)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(NS(C)(=O)=O)o1
Show InChI InChI=1S/C24H31Cl2N11O4S/c1-3-13-12-36(21-18(26)30-17(20(28)31-21)22-32-33-24(41-22)34-42(2,39)40)10-11-37(13)14-6-8-35(9-7-14)23(38)15-4-5-16(25)29-19(15)27/h4-5,13-14H,3,6-12H2,1-2H3,(H2,27,29)(H2,28,31)(H,33,34)/t13-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446646
PNG
(CHEMBL3116481)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(N)o1
Show InChI InChI=1S/C23H29Cl2N11O2/c1-2-12-11-35(20-17(25)30-16(19(27)31-20)21-32-33-23(28)38-21)9-10-36(12)13-5-7-34(8-6-13)22(37)14-3-4-15(24)29-18(14)26/h3-4,12-13H,2,5-11H2,1H3,(H2,26,29)(H2,27,31)(H2,28,33)/t12-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446647
PNG
(CHEMBL3116480)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(CO)o1
Show InChI InChI=1S/C24H30Cl2N10O3/c1-2-13-11-35(22-19(26)30-18(21(28)31-22)23-33-32-17(12-37)39-23)9-10-36(13)14-5-7-34(8-6-14)24(38)15-3-4-16(25)29-20(15)27/h3-4,13-14,37H,2,5-12H2,1H3,(H2,27,29)(H2,28,31)/t13-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446634
PNG
(CHEMBL3116493)
Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(C)n1
Show InChI InChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(13-31-24)25-34-35-27(40-25)30-6-2)16(3)14-38(18)19-9-11-36(12-10-19)26(39)20-7-8-22(28)33-23(20)29/h7-8,13,16,18-19H,5-6,9-12,14-15H2,1-4H3,(H2,29,33)(H,30,35)/t16-,18+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair