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14 similar compounds to monomer 50247128

Wt: 430.6
BDBM50247060
Wt: 350.5
BDBM50247013
Wt: 406.6
BDBM50247015
Wt: 434.7
BDBM50247016
Wt: 392.6
BDBM50247017
Wt: 406.6
BDBM50247056
Wt: 364.5
BDBM50247057
Wt: 380.6
BDBM50247058
Wt: 430.6
BDBM50247059
Wt: 434.7
BDBM50247095
Wt: 392.6
BDBM50247127
Wt: 434.7
BDBM50247129
Wt: 378.5
BDBM50246956
Wt: 392.6
BDBM50246957

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50247060,50247013,50247015,50247016,50247017,50247056,50247057,50247058,50247059,50247095,50247127,50247129,50246956,50246957   
Target
(Institution)
LigandTarget
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
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a 48n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 7


(Homo sapiens)
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CCR7 (unknown origin)


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a 58n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human Jurkat T cells assessed as inhibition of CXCL12-induced cell migration


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4/SDF-1)


(Rattus norvegicus (Rat))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a 29n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50246957
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES CN(C1CCCCC1)C(\SCC1=CSC2=NCCN12)=N\C1CCCCC1
Show InChI InChI=1S/C20H32N4S2/c1-23(17-10-6-3-7-11-17)20(22-16-8-4-2-5-9-16)26-15-18-14-25-19-21-12-13-24(18)19/h14,16-17H,2-13,15H2,1H3/b22-20-
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n/an/a 3.58E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50246957
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES CN(C1CCCCC1)C(\SCC1=CSC2=NCCN12)=N\C1CCCCC1
Show InChI InChI=1S/C20H32N4S2/c1-23(17-10-6-3-7-11-17)20(22-16-8-4-2-5-9-16)26-15-18-14-25-19-21-12-13-24(18)19/h14,16-17H,2-13,15H2,1H3/b22-20-
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n/an/a 931n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247013
PNG
(1,3-dicyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thi...)
Show SMILES C(S\C(NC1CCCC1)=N/C1CCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C17H26N4S2/c1-2-6-13(5-1)19-16(20-14-7-3-4-8-14)22-11-15-12-23-17-18-9-10-21(15)17/h12-14H,1-11H2,(H,19,20)
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n/an/a 3.84E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247013
PNG
(1,3-dicyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thi...)
Show SMILES C(S\C(NC1CCCC1)=N/C1CCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C17H26N4S2/c1-2-6-13(5-1)19-16(20-14-7-3-4-8-14)22-11-15-12-23-17-18-9-10-21(15)17/h12-14H,1-11H2,(H,19,20)
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n/an/a 493n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247015
PNG
(1,3-dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thi...)
Show SMILES C(S\C(NC1CCCCCC1)=N/C1CCCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C21H34N4S2/c1-2-6-10-17(9-5-1)23-20(24-18-11-7-3-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24)
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247015
PNG
(1,3-dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thi...)
Show SMILES C(S\C(NC1CCCCCC1)=N/C1CCCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C21H34N4S2/c1-2-6-10-17(9-5-1)23-20(24-18-11-7-3-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24)
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n/an/a 3.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247016
PNG
(1,3-dicyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCCCC1)=N/C1CCCCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C23H38N4S2/c1-3-7-11-19(12-8-4-1)25-22(26-20-13-9-5-2-6-10-14-20)28-17-21-18-29-23-24-15-16-27(21)23/h18-20H,1-17H2,(H,25,26)
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n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247016
PNG
(1,3-dicyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCCCC1)=N/C1CCCCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C23H38N4S2/c1-3-7-11-19(12-8-4-1)25-22(26-20-13-9-5-2-6-10-14-20)28-17-21-18-29-23-24-15-16-27(21)23/h18-20H,1-17H2,(H,25,26)
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n/an/a 5.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247017
PNG
(1-cycloheptyl-3-cyclohexyl-2-((5,6-dihydroimidazo[...)
Show SMILES C(SC(NC1CCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C20H32N4S2/c1-2-5-9-16(8-4-1)22-19(23-17-10-6-3-7-11-17)25-14-18-15-26-20-21-12-13-24(18)20/h15-17H,1-14H2,(H,22,23)
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n/an/a 28n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247017
PNG
(1-cycloheptyl-3-cyclohexyl-2-((5,6-dihydroimidazo[...)
Show SMILES C(SC(NC1CCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C20H32N4S2/c1-2-5-9-16(8-4-1)22-19(23-17-10-6-3-7-11-17)25-14-18-15-26-20-21-12-13-24(18)20/h15-17H,1-14H2,(H,22,23)
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n/an/a 6.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247056
PNG
(1-cyclohexyl-3-cyclooctyl-2-((5,6-dihydroimidazo[2...)
Show SMILES C(SC(NC1CCCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C21H34N4S2/c1-2-5-9-17(10-6-3-1)23-20(24-18-11-7-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24)
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n/an/a 28n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247056
PNG
(1-cyclohexyl-3-cyclooctyl-2-((5,6-dihydroimidazo[2...)
Show SMILES C(SC(NC1CCCCCCC1)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C21H34N4S2/c1-2-5-9-17(10-6-3-1)23-20(24-18-11-7-4-8-12-18)26-15-19-16-27-21-22-13-14-25(19)21/h16-18H,1-15H2,(H,23,24)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247057
PNG
(1-cyclohexyl-3-cyclopentyl-2-((5,6-dihydroimidazo[...)
Show SMILES C(SC(NC1CCCC1)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C18H28N4S2/c1-2-6-14(7-3-1)20-17(21-15-8-4-5-9-15)23-12-16-13-24-18-19-10-11-22(16)18/h13-15H,1-12H2,(H,20,21)
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n/an/a 372n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247057
PNG
(1-cyclohexyl-3-cyclopentyl-2-((5,6-dihydroimidazo[...)
Show SMILES C(SC(NC1CCCC1)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C18H28N4S2/c1-2-6-14(7-3-1)20-17(21-15-8-4-5-9-15)23-12-16-13-24-18-19-10-11-22(16)18/h13-15H,1-12H2,(H,20,21)
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n/an/a 173n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247058
PNG
(1-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-...)
Show SMILES CCCCCCNC(SCC1=CSC2=NCCN12)=NC1CCCCC1
Show InChI InChI=1S/C19H32N4S2/c1-2-3-4-8-11-20-18(22-16-9-6-5-7-10-16)24-14-17-15-25-19-21-12-13-23(17)19/h15-16H,2-14H2,1H3,(H,20,22)
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n/an/a 855n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247058
PNG
(1-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-...)
Show SMILES CCCCCCNC(SCC1=CSC2=NCCN12)=NC1CCCCC1
Show InChI InChI=1S/C19H32N4S2/c1-2-3-4-8-11-20-18(22-16-9-6-5-7-10-16)24-14-17-15-25-19-21-12-13-23(17)19/h15-16H,2-14H2,1H3,(H,20,22)
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n/an/a 75n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247059
PNG
(1-Adamantan-1-yl-3-cyclohexyl-2-(5,6-dihydro-imida...)
Show SMILES C(SC(NC12CC3CC(CC(C3)C1)C2)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-21(28-14-20-15-29-22-24-6-7-27(20)22)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-19H,1-14H2,(H,25,26)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247059
PNG
(1-Adamantan-1-yl-3-cyclohexyl-2-(5,6-dihydro-imida...)
Show SMILES C(SC(NC12CC3CC(CC(C3)C1)C2)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-21(28-14-20-15-29-22-24-6-7-27(20)22)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h15-19H,1-14H2,(H,25,26)
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n/an/a 304n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247060
PNG
(1-Adamantan-2-yl-3-cyclohexyl-2-(5,6-dihydro-imida...)
Show SMILES C(SC(NC1C2CC3CC(C2)CC1C3)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-22(28-13-20-14-29-23-24-6-7-27(20)23)26-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-19,21H,1-13H2,(H,25,26)
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n/an/a 81n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247060
PNG
(1-Adamantan-2-yl-3-cyclohexyl-2-(5,6-dihydro-imida...)
Show SMILES C(SC(NC1C2CC3CC(C2)CC1C3)=NC1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-22(28-13-20-14-29-23-24-6-7-27(20)23)26-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-19,21H,1-13H2,(H,25,26)
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247095
PNG
(1-(4-tert-butylcyclohexyl)-3-cyclohexyl-2-((5,6-di...)
Show SMILES CC(C)(C)C1CCC(CC1)NC(SCC1=CSC2=NCCN12)=NC1CCCCC1
Show InChI InChI=1S/C23H38N4S2/c1-23(2,3)17-9-11-19(12-10-17)26-21(25-18-7-5-4-6-8-18)28-15-20-16-29-22-24-13-14-27(20)22/h16-19H,4-15H2,1-3H3,(H,25,26)
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n/an/a 437n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a 6.78E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a 3.86E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERG in CHOK1 cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247095
PNG
(1-(4-tert-butylcyclohexyl)-3-cyclohexyl-2-((5,6-di...)
Show SMILES CC(C)(C)C1CCC(CC1)NC(SCC1=CSC2=NCCN12)=NC1CCCCC1
Show InChI InChI=1S/C23H38N4S2/c1-23(2,3)17-9-11-19(12-10-17)26-21(25-18-7-5-4-6-8-18)28-15-20-16-29-22-24-13-14-27(20)22/h16-19H,4-15H2,1-3H3,(H,25,26)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247127
PNG
(1,3-dicyclohexyl-2-((6,7-dihydro-5H-thiazolo[3,2-a...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCCN12
Show InChI InChI=1S/C20H32N4S2/c1-3-8-16(9-4-1)22-19(23-17-10-5-2-6-11-17)25-14-18-15-26-20-21-12-7-13-24(18)20/h15-17H,1-14H2,(H,22,23)
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n/an/a 185n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247127
PNG
(1,3-dicyclohexyl-2-((6,7-dihydro-5H-thiazolo[3,2-a...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCCN12
Show InChI InChI=1S/C20H32N4S2/c1-3-8-16(9-4-1)22-19(23-17-10-5-2-6-11-17)25-14-18-15-26-20-21-12-7-13-24(18)20/h15-17H,1-14H2,(H,22,23)
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n/an/a 57n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247129
PNG
(1,3-dicycloheptyl-2-((6,6-dimethyl-5,6-dihydroimid...)
Show SMILES CC1(C)CN2C(CS\C(NC3CCCCCC3)=N/C3CCCCCC3)=CSC2=N1
Show InChI InChI=1S/C23H38N4S2/c1-23(2)17-27-20(16-29-22(27)26-23)15-28-21(24-18-11-7-3-4-8-12-18)25-19-13-9-5-6-10-14-19/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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n/an/a 8.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human CEM cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50247129
PNG
(1,3-dicycloheptyl-2-((6,6-dimethyl-5,6-dihydroimid...)
Show SMILES CC1(C)CN2C(CS\C(NC3CCCCCC3)=N/C3CCCCCC3)=CSC2=N1
Show InChI InChI=1S/C23H38N4S2/c1-23(2)17-27-20(16-29-22(27)26-23)15-28-21(24-18-11-7-3-4-8-12-18)25-19-13-9-5-6-10-14-19/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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n/an/a 2.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4/SDF-1)


(Rattus norvegicus (Rat))
BDBM50246956
PNG
(1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...)
Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12
Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
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n/an/a 55n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cells


J Med Chem 51: 7915-20 (2008)

More data for this
Ligand-Target Pair