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6 similar compounds to monomer 50358619

Compile data set for download or QSAR
Wt: 616.1
BDBM50358623
Wt: 613.6
BDBM50358624
Wt: 506.4
BDBM50358614
Wt: 574.4
BDBM50358615
Wt: 536.4
BDBM50358616
Wt: 614.5
BDBM50358620

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50358623,50358624,50358614,50358615,50358616,50358620   
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))
BDBM50358614
PNG
(CHEMBL1921863)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NC
Show InChI InChI=1S/C24H33Cl2N7O/c1-3-18-15-32(23-21(26)29-20(22(27)30-23)24(34)28-2)12-13-33(18)19-8-10-31(11-9-19)14-16-4-6-17(25)7-5-16/h4-7,18-19H,3,8-15H2,1-2H3,(H2,27,30)(H,28,34)/t18-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/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))
BDBM50358615
PNG
(CHEMBL1921864)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C25H32Cl2F3N7O/c1-2-18-14-36(23-21(27)33-20(22(31)34-23)24(38)32-15-25(28,29)30)11-12-37(18)19-7-9-35(10-8-19)13-16-3-5-17(26)6-4-16/h3-6,18-19H,2,7-15H2,1H3,(H2,31,34)(H,32,38)/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.800n/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))
BDBM50358624
PNG
(CHEMBL1921873)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(C)(=O)=O
Show InChI InChI=1S/C26H38Cl2N8O3S/c1-3-20-17-35(25-23(28)32-22(24(29)33-25)26(37)30-10-11-31-40(2,38)39)14-15-36(20)21-8-12-34(13-9-21)16-18-4-6-19(27)7-5-18/h4-7,20-21,31H,3,8-17H2,1-2H3,(H2,29,33)(H,30,37)/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.40n/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))
BDBM50358620
PNG
(CHEMBL1921869)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(N)(=O)=O
Show InChI InChI=1S/C25H37Cl2N9O3S/c1-2-19-16-35(24-22(27)32-21(23(28)33-24)25(37)30-9-10-31-40(29,38)39)13-14-36(19)20-7-11-34(12-8-20)15-17-3-5-18(26)6-4-17/h3-6,19-20,31H,2,7-16H2,1H3,(H2,28,33)(H,30,37)(H2,29,38,39)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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))
BDBM50358623
PNG
(CHEMBL1921872)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(F)c(F)c2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(N)(=O)=O
Show InChI InChI=1S/C25H36ClF2N9O3S/c1-2-17-15-36(24-22(26)33-21(23(29)34-24)25(38)31-7-8-32-41(30,39)40)11-12-37(17)18-5-9-35(10-6-18)14-16-3-4-19(27)20(28)13-16/h3-4,13,17-18,32H,2,5-12,14-15H2,1H3,(H2,29,34)(H,31,38)(H2,30,39,40)/t17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/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))
BDBM50358616
PNG
(CHEMBL1921865)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCO
Show InChI InChI=1S/C25H35Cl2N7O2/c1-2-19-16-33(24-22(27)30-21(23(28)31-24)25(36)29-9-14-35)12-13-34(19)20-7-10-32(11-8-20)15-17-3-5-18(26)6-4-17/h3-6,19-20,35H,2,7-16H2,1H3,(H2,28,31)(H,29,36)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.400n/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