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PubMed code 26191354

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112165
PNG
(CHEMBL3608421)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1F |r|
Show InChI InChI=1S/C24H24FN5O3/c1-29-12-16(10-27-29)17-5-4-15(9-19(17)25)11-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-10,12-13,20,22,31H,6,8,11,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112166
PNG
(CHEMBL3608422)
Show SMILES CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-23-21(28)15-6-4-14(5-7-15)11-26-12-16(20-18(26)3-2-9-24-20)22(29)25-17-13-30-10-8-19(17)27/h2-7,9,12,17,19,27H,8,10-11,13H2,1H3,(H,23,28)(H,25,29)/t17-,19-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112160
PNG
(CHEMBL3608415)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2nc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C24H25FN6O2/c1-30-13-17(12-27-30)15-8-9-16(18(25)11-15)14-31-20-6-4-10-26-22(20)23(29-31)24(33)28-19-5-2-3-7-21(19)32/h4,6,8-13,19,21,32H,2-3,5,7,14H2,1H3,(H,28,33)/t19-,21-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112165
PNG
(CHEMBL3608421)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1F |r|
Show InChI InChI=1S/C24H24FN5O3/c1-29-12-16(10-27-29)17-5-4-15(9-19(17)25)11-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-10,12-13,20,22,31H,6,8,11,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112163
PNG
(CHEMBL3608419)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C24H25N5O3/c1-28-13-18(11-26-28)17-6-4-16(5-7-17)12-29-14-19(23-21(29)3-2-9-25-23)24(31)27-20-15-32-10-8-22(20)30/h2-7,9,11,13-14,20,22,30H,8,10,12,15H2,1H3,(H,27,31)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112166
PNG
(CHEMBL3608422)
Show SMILES CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-23-21(28)15-6-4-14(5-7-15)11-26-12-16(20-18(26)3-2-9-24-20)22(29)25-17-13-30-10-8-19(17)27/h2-7,9,12,17,19,27H,8,10-11,13H2,1H3,(H,23,28)(H,25,29)/t17-,19-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112162
PNG
(CHEMBL3608413)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C25H26FN5O2/c1-30-13-18(12-28-30)16-8-9-17(20(26)11-16)14-31-15-19(24-22(31)6-4-10-27-24)25(33)29-21-5-2-3-7-23(21)32/h4,6,8-13,15,21,23,32H,2-3,5,7,14H2,1H3,(H,29,33)/t21-,23-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112160
PNG
(CHEMBL3608415)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2nc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C24H25FN6O2/c1-30-13-17(12-27-30)15-8-9-16(18(25)11-15)14-31-20-6-4-10-26-22(20)23(29-31)24(33)28-19-5-2-3-7-21(19)32/h4,6,8-13,19,21,32H,2-3,5,7,14H2,1H3,(H,28,33)/t19-,21-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112158
PNG
(CHEMBL3608417)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112158
PNG
(CHEMBL3608417)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112159
PNG
(CHEMBL3608416)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@]3(C)O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C25H26FN5O3/c1-25(33)15-34-9-7-22(25)29-24(32)19-14-31(21-4-3-8-27-23(19)21)13-17-6-5-16(10-20(17)26)18-11-28-30(2)12-18/h3-6,8,10-12,14,22,33H,7,9,13,15H2,1-2H3,(H,29,32)/t22-,25+/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112164
PNG
(CHEMBL3608420)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cn1 |r|
Show InChI InChI=1S/C23H24N6O3/c1-28-12-16(10-26-28)18-5-4-15(9-25-18)11-29-13-17(22-20(29)3-2-7-24-22)23(31)27-19-14-32-8-6-21(19)30/h2-5,7,9-10,12-13,19,21,30H,6,8,11,14H2,1H3,(H,27,31)/t19-,21-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112161
PNG
(CHEMBL3608414)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-6-8-33-14-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112157
PNG
(CHEMBL3608418)
Show SMILES Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12 |r|
Show InChI InChI=1S/C22H23N5O3/c1-26-18-5-4-14(9-15(18)10-24-26)11-27-12-16(21-19(27)3-2-7-23-21)22(29)25-17-13-30-8-6-20(17)28/h2-5,7,9-10,12,17,20,28H,6,8,11,13H2,1H3,(H,25,29)/t17-,20-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112164
PNG
(CHEMBL3608420)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cn1 |r|
Show InChI InChI=1S/C23H24N6O3/c1-28-12-16(10-26-28)18-5-4-15(9-25-18)11-29-13-17(22-20(29)3-2-7-24-22)23(31)27-19-14-32-8-6-21(19)30/h2-5,7,9-10,12-13,19,21,30H,6,8,11,14H2,1H3,(H,27,31)/t19-,21-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112157
PNG
(CHEMBL3608418)
Show SMILES Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12 |r|
Show InChI InChI=1S/C22H23N5O3/c1-26-18-5-4-14(9-15(18)10-24-26)11-27-12-16(21-19(27)3-2-7-23-21)22(29)25-17-13-30-8-6-20(17)28/h2-5,7,9-10,12,17,20,28H,6,8,11,13H2,1H3,(H,25,29)/t17-,20-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112159
PNG
(CHEMBL3608416)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@]3(C)O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C25H26FN5O3/c1-25(33)15-34-9-7-22(25)29-24(32)19-14-31(21-4-3-8-27-23(19)21)13-17-6-5-16(10-20(17)26)18-11-28-30(2)12-18/h3-6,8,10-12,14,22,33H,7,9,13,15H2,1-2H3,(H,29,32)/t22-,25+/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112162
PNG
(CHEMBL3608413)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C25H26FN5O2/c1-30-13-18(12-28-30)16-8-9-17(20(26)11-16)14-31-15-19(24-22(31)6-4-10-27-24)25(33)29-21-5-2-3-7-23(21)32/h4,6,8-13,15,21,23,32H,2-3,5,7,14H2,1H3,(H,29,33)/t21-,23-/m0/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50112163
PNG
(CHEMBL3608419)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C24H25N5O3/c1-28-13-18(11-26-28)17-6-4-16(5-7-17)12-29-14-19(23-21(29)3-2-9-25-23)24(31)27-20-15-32-10-8-22(20)30/h2-7,9,11,13-14,20,22,30H,8,10,12,15H2,1H3,(H,27,31)/t20-,22-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50112161
PNG
(CHEMBL3608414)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1S/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-6-8-33-14-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FL...

ACS Med Chem Lett 6: 726-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00185
BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%