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9 similar compounds to monomer 50358608

Compile data set for download or QSAR
Wt: 527.0
BDBM50358638
Wt: 470.9
BDBM50358639
Wt: 485.0
BDBM50358640
Wt: 499.0
BDBM50358641
Wt: 511.0
BDBM50358642
Wt: 485.0
BDBM50358643
Wt: 499.0
BDBM50358605
Wt: 485.0
BDBM50358606
Wt: 499.0
BDBM50358607

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50358638,50358639,50358640,50358641,50358642,50358643,50358605,50358606,50358607   
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))
BDBM50358605
PNG
(CHEMBL1921893)
Show SMILES CC[C@H]1CN([C@H](CC)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O
Show InChI InChI=1S/C26H35ClN6O2/c1-4-20-16-33(25-17(3)30-23(14-29-25)24(28)34)21(5-2)15-32(20)22-10-12-31(13-11-22)26(35)18-6-8-19(27)9-7-18/h6-9,14,20-22H,4-5,10-13,15-16H2,1-3H3,(H2,28,34)/t20-,21+/m0/s1
UniProtKB/SwissProt

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Article
PubMed
n/an/a 235n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50358606
PNG
(CHEMBL1921894)
Show SMILES CC[C@H]1CN([C@@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O
Show InChI InChI=1S/C25H33ClN6O2/c1-4-20-15-31(24-17(3)29-22(13-28-24)23(27)33)16(2)14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,27,33)/t16-,20-/m0/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50358607
PNG
(CHEMBL1921895)
Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC
Show InChI InChI=1S/C26H35ClN6O2/c1-5-21-16-32(24-18(3)30-23(14-29-24)25(34)28-4)17(2)15-33(21)22-10-12-31(13-11-22)26(35)19-6-8-20(27)9-7-19/h6-9,14,17,21-22H,5,10-13,15-16H2,1-4H3,(H,28,34)/t17-,21+/m1/s1
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Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50358638
PNG
(CHEMBL1921887)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H35ClN8O2/c1-3-18-15-34(24-16(2)30-21(14-29-24)25(36)31-17-4-5-17)12-13-35(18)19-8-10-33(11-9-19)26(37)20-6-7-22(27)32-23(20)28/h6-7,14,17-19H,3-5,8-13,15H2,1-2H3,(H2,28,32)(H,31,36)/t18-/m0/s1
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Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50358643
PNG
(CHEMBL1921892)
Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O
Show InChI InChI=1S/C25H33ClN6O2/c1-4-20-15-31(24-17(3)29-22(13-28-24)23(27)33)16(2)14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,27,33)/t16-,20+/m1/s1
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Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50358640
PNG
(CHEMBL1921889)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC
Show InChI InChI=1S/C25H33ClN6O2/c1-4-20-16-31(23-17(2)29-22(15-28-23)24(33)27-3)13-14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,15,20-21H,4,9-14,16H2,1-3H3,(H,27,33)/t20-/m0/s1
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50358641
PNG
(CHEMBL1921890)
Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(C)n1
Show InChI InChI=1S/C26H35ClN6O2/c1-4-21-17-32(24-18(3)30-23(16-29-24)25(34)28-5-2)14-15-33(21)22-10-12-31(13-11-22)26(35)19-6-8-20(27)9-7-19/h6-9,16,21-22H,4-5,10-15,17H2,1-3H3,(H,28,34)/t21-/m0/s1
UniProtKB/SwissProt

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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50358642
PNG
(CHEMBL1921891)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC1CC1
Show InChI InChI=1S/C27H35ClN6O2/c1-3-22-17-33(25-18(2)30-24(16-29-25)26(35)31-21-8-9-21)14-15-34(22)23-10-12-32(13-11-23)27(36)19-4-6-20(28)7-5-19/h4-7,16,21-23H,3,8-15,17H2,1-2H3,(H,31,35)/t22-/m0/s1
UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50358639
PNG
(CHEMBL1921888)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O
Show InChI InChI=1S/C24H31ClN6O2/c1-3-19-15-30(23-16(2)28-21(14-27-23)22(26)32)12-13-31(19)20-8-10-29(11-9-20)24(33)17-4-6-18(25)7-5-17/h4-7,14,19-20H,3,8-13,15H2,1-2H3,(H2,26,32)/t19-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair