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6 similar compounds to monomer 50446631

Compile data set for download or QSAR
Wt: 525.0
BDBM50446627
Wt: 539.0
BDBM50446628
Wt: 607.0
BDBM50446629
Wt: 553.0
BDBM50446630
Wt: 569.1
BDBM50446634
Wt: 555.0
BDBM50446639

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50446627,50446628,50446629,50446630,50446634,50446639   
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))
BDBM50446627
PNG
(CHEMBL3116500)
Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)-c1nnc(N)o1
Show InChI InChI=1S/C26H33ClN8O2/c1-4-20-15-34(23-17(3)30-22(13-29-23)24-31-32-26(28)37-24)16(2)14-35(20)21-9-11-33(12-10-21)25(36)18-5-7-19(27)8-6-18/h5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,28,32)/t16-,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446628
PNG
(CHEMBL3116499)
Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)-c1nnc(NC)o1
Show InChI InChI=1S/C27H35ClN8O2/c1-5-21-16-35(24-18(3)31-23(14-30-24)25-32-33-27(29-4)38-25)17(2)15-36(21)22-10-12-34(13-11-22)26(37)19-6-8-20(28)9-7-19/h6-9,14,17,21-22H,5,10-13,15-16H2,1-4H3,(H,29,33)/t17-,21+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/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))
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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50446630
PNG
(CHEMBL3116497)
Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(C)n1
Show InChI InChI=1S/C28H37ClN8O2/c1-5-22-17-36(25-19(4)32-24(15-31-25)26-33-34-28(39-26)30-6-2)18(3)16-37(22)23-11-13-35(14-12-23)27(38)20-7-9-21(29)10-8-20/h7-10,15,18,22-23H,5-6,11-14,16-17H2,1-4H3,(H,30,34)/t18-,22+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/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))
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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446629
PNG
(CHEMBL3116498)
Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C28H34ClF3N8O2/c1-4-20-16-39(24-23(28(30,31)32)35-22(14-34-24)25-36-37-27(42-25)33-5-2)17(3)15-40(20)21-10-12-38(13-11-21)26(41)18-6-8-19(29)9-7-18/h6-9,14,17,20-21H,4-5,10-13,15-16H2,1-3H3,(H,33,37)/t17-,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/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