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Compile Data Set for Download or QSAR

Found 22 hits of ic50 for UniProtKB: P34948   
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
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071523
PNG
(2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O2S/c21-16-8-7-15(10-17(16)22)27-9-3-6-18(25)24-20(19(23)26)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H2,23,26)(H,24,25)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071519
PNG
(2-[4-(2,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl2N2O2S/c21-15-7-8-17(16(22)10-15)27-9-3-6-18(25)24-20(19(23)26)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H2,23,26)(H,24,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071539
PNG
(2-[4-(3,4-Dichloro-phenoxy)-butyrylamino]-indan-2-...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O3/c21-16-8-7-15(10-17(16)22)27-9-3-6-18(25)24-20(19(23)26)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H2,23,26)(H,24,25)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071535
PNG
(2-[4-(3,4-Dichloro-phenylamino)-butyrylamino]-inda...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCNc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H21Cl2N3O2/c21-16-8-7-15(10-17(16)22)24-9-3-6-18(26)25-20(19(23)27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,24H,3,6,9,11-12H2,(H2,23,27)(H,25,26)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071515
PNG
(2-[4-(2,4,5-Trichloro-phenoxy)-butyrylamino]-indan...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C20H19Cl3N2O3/c21-14-8-16(23)17(9-15(14)22)28-7-3-6-18(26)25-20(19(24)27)10-12-4-1-2-5-13(12)11-20/h1-2,4-5,8-9H,3,6-7,10-11H2,(H2,24,27)(H,25,26)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071518
PNG
(2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-indan-2-...)
Show SMILES COC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H21Cl2NO4/c1-27-20(26)21(12-14-5-2-3-6-15(14)13-21)24-19(25)7-4-10-28-18-9-8-16(22)11-17(18)23/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,24,25)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071533
PNG
(2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-indan-2-...)
Show SMILES CNC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H22Cl2N2O3/c1-24-20(27)21(12-14-5-2-3-6-15(14)13-21)25-19(26)7-4-10-28-18-9-8-16(22)11-17(18)23/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,24,27)(H,25,26)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071528
PNG
(2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-indan-2-...)
Show SMILES ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl2N2O4/c21-15-7-8-17(16(22)10-15)28-9-3-6-18(25)23-20(19(26)24-27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,27H,3,6,9,11-12H2,(H,23,25)(H,24,26)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071534
PNG
(4-(2,4-Dichloro-phenoxy)-N-(2-hydrazinocarbonyl-in...)
Show SMILES NNC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3O3/c21-15-7-8-17(16(22)10-15)28-9-3-6-18(26)24-20(19(27)25-23)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10H,3,6,9,11-12,23H2,(H,24,26)(H,25,27)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071527
PNG
(2-[4-(2,4-Dichloro-phenylamino)-butyrylamino]-inda...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCNc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3O2/c21-15-7-8-17(16(22)10-15)24-9-3-6-18(26)25-20(19(23)27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,24H,3,6,9,11-12H2,(H2,23,27)(H,25,26)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071517
PNG
(2-[4-(4-Chloro-3-methyl-phenoxy)-butyrylamino]-ind...)
Show SMILES Cc1cc(OCCCC(=O)NC2(Cc3ccccc3C2)C(N)=O)ccc1Cl
Show InChI InChI=1S/C21H23ClN2O3/c1-14-11-17(8-9-18(14)22)27-10-4-7-19(25)24-21(20(23)26)12-15-5-2-3-6-16(15)13-21/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H2,23,26)(H,24,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071536
PNG
(2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-1,2,3,4-...)
Show SMILES NC(=O)C1(CCc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H22Cl2N2O3/c22-16-7-8-18(17(23)12-16)28-11-3-6-19(26)25-21(20(24)27)10-9-14-4-1-2-5-15(14)13-21/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H2,24,27)(H,25,26)
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n/an/a 9.30E+4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071532
PNG
(4-(2,4-Dichloro-phenoxy)-N-(2-hydroxymethyl-indan-...)
Show SMILES OCC1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H21Cl2NO3/c21-16-7-8-18(17(22)10-16)26-9-3-6-19(25)23-20(13-24)11-14-4-1-2-5-15(14)12-20/h1-2,4-5,7-8,10,24H,3,6,9,11-13H2,(H,23,25)
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n/an/a 1.40E+5n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071537
PNG
(CHEMBL77470 | N-(1-Carbamoyl-1-methyl-2-phenyl-eth...)
Show SMILES CC(Cc1ccccc1)(NC(=O)CCCOc1ccc(Cl)cc1Cl)C(N)=O
Show InChI InChI=1S/C20H22Cl2N2O3/c1-20(19(23)26,13-14-6-3-2-4-7-14)24-18(25)8-5-11-27-17-10-9-15(21)12-16(17)22/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H2,23,26)(H,24,25)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071530
PNG
(2-[4-(3,4-Dichloro-phenoxy)-butyrylamino]-2,3-dihy...)
Show SMILES COC(=O)C1(Cc2ccc3ccccc3c2C1)NC(=O)CCCOc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H23Cl2NO4/c1-31-24(30)25(14-17-9-8-16-5-2-3-6-19(16)20(17)15-25)28-23(29)7-4-12-32-18-10-11-21(26)22(27)13-18/h2-3,5-6,8-11,13H,4,7,12,14-15H2,1H3,(H,28,29)
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Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071540
PNG
(1-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-cyclopen...)
Show SMILES NC(=O)C1(CCCC1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H20Cl2N2O3/c17-11-5-6-13(12(18)10-11)23-9-3-4-14(21)20-16(15(19)22)7-1-2-8-16/h5-6,10H,1-4,7-9H2,(H2,19,22)(H,20,21)
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Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071525
PNG
(4-(2,4-Dichloro-phenoxy)-N-indan-2-yl-butyramide |...)
Show SMILES Clc1ccc(OCCCC(=O)NC2Cc3ccccc3C2)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2NO2/c20-15-7-8-18(17(21)12-15)24-9-3-6-19(23)22-16-10-13-4-1-2-5-14(13)11-16/h1-2,4-5,7-8,12,16H,3,6,9-11H2,(H,22,23)
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Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071524
PNG
(2-[4-(3,4-Dichloro-phenoxy)-butyrylamino]-2,3-dihy...)
Show SMILES COC(=O)C1(Cc2cc3ccccc3cc2C1)NC(=O)CCCOc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H23Cl2NO4/c1-31-24(30)25(14-18-11-16-5-2-3-6-17(16)12-19(18)15-25)28-23(29)7-4-10-32-20-8-9-21(26)22(27)13-20/h2-3,5-6,8-9,11-13H,4,7,10,14-15H2,1H3,(H,28,29)
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Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071522
PNG
(1-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-indan-1-...)
Show SMILES NC(=O)C1(CCc2ccccc12)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl2N2O3/c21-14-7-8-17(16(22)12-14)27-11-3-6-18(25)24-20(19(23)26)10-9-13-4-1-2-5-15(13)20/h1-2,4-5,7-8,12H,3,6,9-11H2,(H2,23,26)(H,24,25)
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Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071529
PNG
(2-[4-(3,4-Dichloro-phenoxy)-butyrylamino]-indan-2,...)
Show SMILES COC(=O)c1ccc2CC(Cc2c1)(NC(=O)CCCOc1ccc(Cl)c(Cl)c1)C(=O)OC
Show InChI InChI=1S/C23H23Cl2NO6/c1-30-21(28)14-5-6-15-12-23(22(29)31-2,13-16(15)10-14)26-20(27)4-3-9-32-17-7-8-18(24)19(25)11-17/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,26,27)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071538
PNG
(2-[4-(2,4-Dichloro-phenoxy)-butyryl]-1,2,3,4-tetra...)
Show SMILES NC(=O)C1Cc2ccccc2CN1C(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl2N2O3/c21-15-7-8-18(16(22)11-15)27-9-3-6-19(25)24-12-14-5-2-1-4-13(14)10-17(24)20(23)26/h1-2,4-5,7-8,11,17H,3,6,9-10,12H2,(H2,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Candida albicans)
BDBM50071526
PNG
(2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-indan-2-...)
Show SMILES OC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H19Cl2NO4/c21-15-7-8-17(16(22)10-15)27-9-3-6-18(24)23-20(19(25)26)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,23,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair