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11 similar compounds to monomer 50292665

Compile data set for download or QSAR
Wt: 455.3
BDBM50292659
Wt: 469.4
BDBM50292660
Wt: 483.4
BDBM50292661
Wt: 441.4
BDBM50292667
Wt: 509.4
BDBM50292668
Wt: 469.4
BDBM50292669
Wt: 470.4
BDBM50292671
Wt: 456.4
BDBM50292672
Wt: 427.3
BDBM50292674
Wt: 413.3
BDBM50292675
Wt: 427.3
BDBM50292676

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50292659,50292660,50292661,50292667,50292668,50292669,50292671,50292672,50292674,50292675,50292676   
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))
BDBM50292659
PNG
((+/-)-1'-(4-bromobenzyl)-1-methyl-3-phenyl-3,4'-bi...)
Show SMILES CN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1
Show InChI InChI=1/C24H27BrN2O2/c1-26-22(28)11-14-24(23(26)29,19-5-3-2-4-6-19)20-12-15-27(16-13-20)17-18-7-9-21(25)10-8-18/h2-10,20H,11-17H2,1H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292661
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-1-propyl-3,4'-bi...)
Show SMILES CCCN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1
Show InChI InChI=1/C26H31BrN2O2/c1-2-16-29-24(30)12-15-26(25(29)31,21-6-4-3-5-7-21)22-13-17-28(18-14-22)19-20-8-10-23(27)11-9-20/h3-11,22H,2,12-19H2,1H3
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n/an/a 5.01E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292667
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C=O)c2ccccc2)cc1
Show InChI InChI=1/C24H29BrN2O/c25-23-9-7-20(8-10-23)17-26-15-11-22(12-16-26)24(21-5-2-1-3-6-21)13-4-14-27(18-24)19-28/h1-3,5-10,19,22H,4,11-18H2
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292668
PNG
((+/-)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperi...)
Show SMILES FC(F)(F)C(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H28BrF3N2O/c26-22-9-7-19(8-10-22)17-30-15-11-21(12-16-30)24(20-5-2-1-3-6-20)13-4-14-31(18-24)23(32)25(27,28)29/h1-3,5-10,21H,4,11-18H2
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292669
PNG
((+/-)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperi...)
Show SMILES CCC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C26H33BrN2O/c1-2-25(30)29-16-6-15-26(20-29,22-7-4-3-5-8-22)23-13-17-28(18-14-23)19-21-9-11-24(27)12-10-21/h3-5,7-12,23H,2,6,13-20H2,1H3
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292672
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...)
Show SMILES NC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C24H30BrN3O/c25-22-9-7-19(8-10-22)17-27-15-11-21(12-16-27)24(20-5-2-1-3-6-20)13-4-14-28(18-24)23(26)29/h1-3,5-10,21H,4,11-18H2,(H2,26,29)
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292674
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2)c2ccccc2)cc1
Show InChI InChI=1/C23H27BrN2O/c24-21-8-6-18(7-9-21)16-26-14-11-20(12-15-26)23(13-10-22(27)25-17-23)19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,25,27)
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292675
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCNC2)c2ccccc2)cc1
Show InChI InChI=1/C23H29BrN2/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(13-4-14-25-18-23)20-5-2-1-3-6-20/h1-3,5-10,21,25H,4,11-18H2
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292676
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCNC2=O)c2ccccc2)cc1
Show InChI InChI=1/C23H27BrN2O/c24-21-9-7-18(8-10-21)17-26-15-11-20(12-16-26)23(13-4-14-25-22(23)27)19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-17H2,(H,25,27)
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n/an/a 1.58E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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n/an/a 810n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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n/an/a 60n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M1 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M1 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292660
PNG
((+/-)-1'-(4-bromobenzyl)-1-ethyl-3-phenyl-3,4'-bip...)
Show SMILES CCN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1
Show InChI InChI=1/C25H29BrN2O2/c1-2-28-23(29)12-15-25(24(28)30,20-6-4-3-5-7-20)21-13-16-27(17-14-21)18-19-8-10-22(26)11-9-19/h3-11,21H,2,12-18H2,1H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair