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13 similar compounds to monomer 69369

Compile data set for download or QSAR
Wt: 305.3
BDBM35912
Wt: 313.3
BDBM35890
Wt: 319.3
BDBM35892
Wt: 305.3
BDBM35896
Wt: 279.2
BDBM69368
Purchase
Wt: 243.2
BDBM50385709
Purchase
Wt: 243.2
BDBM50385712
Purchase
Wt: 273.2
BDBM50385720
Wt: 243.2
BDBM50385723
Wt: 273.2
BDBM50385769
Wt: 273.2
BDBM50385726
Wt: 257.2
BDBM50385770
Wt: 303.3
BDBM50385773

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 35912,35890,35892,35896,69368,50385709,50385712,50385720,50385723,50385769,50385726,50385770,50385773   
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
Androgen Receptor


(Homo sapiens (human))
BDBM35890
PNG
(flufenamic acid analogue, 17)
Show SMILES CCCCCCOc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-7-14-23-16-12-10-15(11-13-16)20-18-9-6-5-8-17(18)19(21)22/h5-6,8-13,20H,2-4,7,14H2,1H3,(H,21,22)
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n/an/a 4.40E+3n/an/an/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385773
PNG
(CHEMBL2040885)
Show SMILES COc1ccc(C(O)=O)c(Nc2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C16H17NO5/c1-20-11-4-5-14(16(18)19)15(9-11)17-10-6-12(21-2)8-13(7-10)22-3/h4-9,17H,1-3H3,(H,18,19)
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n/an/a 2.22E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35896
PNG
(flufenamic acid analogue, 23)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H15NO3/c21-19(22)17-8-4-5-9-18(17)20-14-10-12-16(13-11-14)23-15-6-2-1-3-7-15/h1-13,20H,(H,21,22)
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n/an/a 7.40E+3n/a 2.75E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35912
PNG
(flufenamic acid analogue, 38)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H15NO3/c21-19(22)17-11-4-5-12-18(17)20-14-7-6-10-16(13-14)23-15-8-2-1-3-9-15/h1-13,20H,(H,21,22)
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n/an/an/an/a 4.25E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM69368
PNG
(2-[4-(difluoromethoxy)anilino]benzoic acid | 2-[[4...)
Show SMILES OC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C14H11F2NO3/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385709
PNG
(CHEMBL2043299)
Show SMILES COc1ccccc1Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H13NO3/c1-18-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 1.28E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385712
PNG
(CHEMBL1328677)
Show SMILES COc1cccc(Nc2ccccc2C(O)=O)c1
Show InChI InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385720
PNG
(CHEMBL2043308)
Show SMILES COc1cc(Nc2ccccc2C(O)=O)cc(OC)c1
Show InChI InChI=1S/C15H15NO4/c1-19-11-7-10(8-12(9-11)20-2)16-14-6-4-3-5-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385723
PNG
(CHEMBL2043311)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccccc2)c1
Show InChI InChI=1S/C14H13NO3/c1-18-11-7-8-12(14(16)17)13(9-11)15-10-5-3-2-4-6-10/h2-9,15H,1H3,(H,16,17)
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n/an/a 1.49E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385726
PNG
(CHEMBL2043315)
Show SMILES COc1cccc(Nc2cc(OC)ccc2C(O)=O)c1
Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-4-10(8-11)16-14-9-12(20-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 570n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385726
PNG
(CHEMBL2043315)
Show SMILES COc1cccc(Nc2cc(OC)ccc2C(O)=O)c1
Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-4-10(8-11)16-14-9-12(20-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 1.47E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385769
PNG
(CHEMBL2043322)
Show SMILES COc1ccc(Nc2cc(OC)ccc2C(O)=O)cc1
Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-10(4-6-11)16-14-9-12(20-2)7-8-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 910n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385770
PNG
(CHEMBL2043323)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)16-14-9-12(19-2)7-8-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385773
PNG
(CHEMBL2040885)
Show SMILES COc1ccc(C(O)=O)c(Nc2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C16H17NO5/c1-20-11-4-5-14(16(18)19)15(9-11)17-10-6-12(21-2)8-13(7-10)22-3/h4-9,17H,1-3H3,(H,18,19)
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n/an/a 6.78E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385709
PNG
(CHEMBL2043299)
Show SMILES COc1ccccc1Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H13NO3/c1-18-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 2.22E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385712
PNG
(CHEMBL1328677)
Show SMILES COc1cccc(Nc2ccccc2C(O)=O)c1
Show InChI InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 570n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385720
PNG
(CHEMBL2043308)
Show SMILES COc1cc(Nc2ccccc2C(O)=O)cc(OC)c1
Show InChI InChI=1S/C15H15NO4/c1-19-11-7-10(8-12(9-11)20-2)16-14-6-4-3-5-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 890n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385723
PNG
(CHEMBL2043311)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccccc2)c1
Show InChI InChI=1S/C14H13NO3/c1-18-11-7-8-12(14(16)17)13(9-11)15-10-5-3-2-4-6-10/h2-9,15H,1H3,(H,16,17)
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n/an/a 1.66E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385769
PNG
(CHEMBL2043322)
Show SMILES COc1ccc(Nc2cc(OC)ccc2C(O)=O)cc1
Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-10(4-6-11)16-14-9-12(20-2)7-8-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 250n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385770
PNG
(CHEMBL2043323)
Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)16-14-9-12(19-2)7-8-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/a 800n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35892
PNG
(flufenamic acid analogue, 19)
Show SMILES Cc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2)cc1
Show InChI InChI=1S/C20H17NO3/c1-14-6-10-16(11-7-14)24-17-12-8-15(9-13-17)21-19-5-3-2-4-18(19)20(22)23/h2-13,21H,1H3,(H,22,23)
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Article
PubMed
n/an/a 5.60E+3n/a 2.80E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair