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PubMed code 25914804

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
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50133899
PNG
(CHEMBL3734879)
Show SMILES Fc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1c(F)cccc1F
Show InChI InChI=1S/C20H18F3N5O/c21-15-5-2-6-16(22)18(15)26-19-17(23)12-24-20(27-19)25-13-3-1-4-14(11-13)28-7-9-29-10-8-28/h1-6,11-12H,7-10H2,(H2,24,25,26,27)
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n/an/a 330n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50134089
PNG
(CHEMBL3735502)
Show SMILES CN(C)CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C20H20F2N6O/c1-28(2)12-18(29)24-15-4-3-5-16(10-15)26-20-23-11-17(22)19(27-20)25-14-8-6-13(21)7-9-14/h3-11H,12H2,1-2H3,(H,24,29)(H2,23,25,26,27)
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n/an/a 780n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50134088
PNG
(CHEMBL3735231)
Show SMILES CN1CCC(CC1)C(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C23H24F2N6O/c1-31-11-9-15(10-12-31)22(32)28-18-3-2-4-19(13-18)29-23-26-14-20(25)21(30-23)27-17-7-5-16(24)6-8-17/h2-8,13-15H,9-12H2,1H3,(H,28,32)(H2,26,27,29,30)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50134089
PNG
(CHEMBL3735502)
Show SMILES CN(C)CC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C20H20F2N6O/c1-28(2)12-18(29)24-15-4-3-5-16(10-15)26-20-23-11-17(22)19(27-20)25-14-8-6-13(21)7-9-14/h3-11H,12H2,1-2H3,(H,24,29)(H2,23,25,26,27)
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n/an/a 1.71E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50134179
PNG
(CHEMBL3735818)
Show SMILES CN(C)CCNC(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C21H22F2N6O/c1-29(2)11-10-24-20(30)14-4-3-5-17(12-14)27-21-25-13-18(23)19(28-21)26-16-8-6-15(22)7-9-16/h3-9,12-13H,10-11H2,1-2H3,(H,24,30)(H2,25,26,27,28)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50134090
PNG
(CHEMBL3735561)
Show SMILES COCC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C19H17F2N5O2/c1-28-11-17(27)23-14-3-2-4-15(9-14)25-19-22-10-16(21)18(26-19)24-13-7-5-12(20)6-8-13/h2-10H,11H2,1H3,(H,23,27)(H2,22,24,25,26)
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n/an/a 2.02E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50134088
PNG
(CHEMBL3735231)
Show SMILES CN1CCC(CC1)C(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C23H24F2N6O/c1-31-11-9-15(10-12-31)22(32)28-18-3-2-4-19(13-18)29-23-26-14-20(25)21(30-23)27-17-7-5-16(24)6-8-17/h2-8,13-15H,9-12H2,1H3,(H,28,32)(H2,26,27,29,30)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50134087
PNG
(CHEMBL3735656)
Show SMILES Fc1ccc(Nc2nc(Nc3cccc(NC(=O)c4ccncc4)c3)ncc2F)cc1
Show InChI InChI=1S/C22H16F2N6O/c23-15-4-6-16(7-5-15)27-20-19(24)13-26-22(30-20)29-18-3-1-2-17(12-18)28-21(31)14-8-10-25-11-9-14/h1-13H,(H,28,31)(H2,26,27,29,30)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50134090
PNG
(CHEMBL3735561)
Show SMILES COCC(=O)Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C19H17F2N5O2/c1-28-11-17(27)23-14-3-2-4-15(9-14)25-19-22-10-16(21)18(26-19)24-13-7-5-12(20)6-8-13/h2-10H,11H2,1H3,(H,23,27)(H2,22,24,25,26)
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n/an/a 3.27E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50134179
PNG
(CHEMBL3735818)
Show SMILES CN(C)CCNC(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C21H22F2N6O/c1-29(2)11-10-24-20(30)14-4-3-5-17(12-14)27-21-25-13-18(23)19(28-21)26-16-8-6-15(22)7-9-16/h3-9,12-13H,10-11H2,1-2H3,(H,24,30)(H2,25,26,27,28)
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n/an/a 4.65E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50133899
PNG
(CHEMBL3734879)
Show SMILES Fc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1c(F)cccc1F
Show InChI InChI=1S/C20H18F3N5O/c21-15-5-2-6-16(22)18(15)26-19-17(23)12-24-20(27-19)25-13-3-1-4-14(11-13)28-7-9-29-10-8-28/h1-6,11-12H,7-10H2,(H2,24,25,26,27)
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n/an/a 5.85E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50134086
PNG
(CHEMBL3735072)
Show SMILES COc1ccc(cc1Nc1ncc(F)c(Nc2ccc(F)cc2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C22H24F2N6O/c1-29-9-11-30(12-10-29)17-7-8-20(31-2)19(13-17)27-22-25-14-18(24)21(28-22)26-16-5-3-15(23)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50134086
PNG
(CHEMBL3735072)
Show SMILES COc1ccc(cc1Nc1ncc(F)c(Nc2ccc(F)cc2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C22H24F2N6O/c1-29-9-11-30(12-10-29)17-7-8-20(31-2)19(13-17)27-22-25-14-18(24)21(28-22)26-16-5-3-15(23)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50134091
PNG
(CHEMBL3735432)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C22H22F2N6O/c1-29-9-11-30(12-10-29)21(31)15-3-2-4-18(13-15)27-22-25-14-19(24)20(28-22)26-17-7-5-16(23)6-8-17/h2-8,13-14H,9-12H2,1H3,(H2,25,26,27,28)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50134087
PNG
(CHEMBL3735656)
Show SMILES Fc1ccc(Nc2nc(Nc3cccc(NC(=O)c4ccncc4)c3)ncc2F)cc1
Show InChI InChI=1S/C22H16F2N6O/c23-15-4-6-16(7-5-15)27-20-19(24)13-26-22(30-20)29-18-3-1-2-17(12-18)28-21(31)14-8-10-25-11-9-14/h1-13H,(H,28,31)(H2,26,27,29,30)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50134092
PNG
(CHEMBL3735063)
Show SMILES CC(=O)N1CCCN(CC1)C(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C24H24F2N6O2/c1-16(33)31-10-3-11-32(13-12-31)23(34)17-4-2-5-20(14-17)29-24-27-15-21(26)22(30-24)28-19-8-6-18(25)7-9-19/h2,4-9,14-15H,3,10-13H2,1H3,(H2,27,28,29,30)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50134091
PNG
(CHEMBL3735432)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C22H22F2N6O/c1-29-9-11-30(12-10-29)21(31)15-3-2-4-18(13-15)27-22-25-14-19(24)20(28-22)26-17-7-5-16(23)6-8-17/h2-8,13-14H,9-12H2,1H3,(H2,25,26,27,28)
PDB

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.21E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50134092
PNG
(CHEMBL3735063)
Show SMILES CC(=O)N1CCCN(CC1)C(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C24H24F2N6O2/c1-16(33)31-10-3-11-32(13-12-31)23(34)17-4-2-5-20(14-17)29-24-27-15-21(26)22(30-24)28-19-8-6-18(25)7-9-19/h2,4-9,14-15H,3,10-13H2,1H3,(H2,27,28,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.06E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradio...

Medchemcomm 6: 444-454 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G9D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%