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Compile Data Set for Download or QSAR

Found 494 hits with Last Name = 'singh' and Initial = 'v'   
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
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170092
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1/C18H22ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)
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0.0100n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170082
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C14H23N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,14,16,20H,2,4-7,15H2,1H3,(H,17,18)
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0.0340n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195587
PNG
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/s2
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0.0560n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhbitory activity of compound against human purine nucleoside phosphorylase (PNP)


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170089
PNG
(1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-...)
Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O
Show InChI InChI=1/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)
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0.0900n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170086
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C16H27N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,16,18,22H,2-4,6-9,17H2,1H3,(H,19,20)
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0.110n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170095
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C15H25N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h4,9,11-12,15,17,21H,2-3,5-8,16H2,1H3,(H,18,19)
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0.120n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170091
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccncc4)C3)c[nH]c12
Show InChI InChI=1/C17H22N6OS/c18-17-16-15(21-10-22-17)11(5-20-16)6-23-7-12(14(24)8-23)9-25-13-1-3-19-4-2-13/h1-5,10,12,14,17,20,24H,6-9,18H2,(H,21,22)
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0.160n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170098
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(F)cc4)C3)c[nH]c12
Show InChI InChI=1/C18H22FN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)
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0.160n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM36496
PNG
(CHEMBL552894 | ImmA-pClPh)
Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(Cl)cc2)C(O)C1O
Show InChI InChI=1/C17H18ClN5O2S/c18-8-1-3-9(4-2-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22)
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0.166n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170083
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccccc4)C3)c[nH]c12
Show InChI InChI=1/C18H23N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h1-6,11,13,15,18,20,24H,7-10,19H2,(H,21,22)
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0.170n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148131
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-prop...)
Show SMILES CCCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12
Show InChI InChI=1/C14H21N5O2S/c1-2-3-22-5-8-12(20)13(21)10(19-8)7-4-16-11-9(7)17-6-18-14(11)15/h4,6,8,10,12-13,16,19-21H,2-3,5H2,1H3,(H2,15,17,18)
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0.214n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170097
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CC(C)SCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C15H25N5OS/c1-9(2)22-7-11-5-20(6-12(11)21)4-10-3-17-14-13(10)18-8-19-15(14)16/h3,8-9,11-12,15,17,21H,4-7,16H2,1-2H3,(H,18,19)
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0.260n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM36494
PNG
(CHEMBL554965 | ImmA-Et)
Show SMILES CCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12
Show InChI InChI=1/C13H19N5O2S/c1-2-21-4-7-11(19)12(20)9(18-7)6-3-15-10-8(6)16-5-17-13(10)14/h3,5,7,9,11-12,15,18-20H,2,4H2,1H3,(H2,14,16,17)
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0.266n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170088
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4cccc(Cl)c4)C3)c[nH]c12
Show InChI InChI=1/C18H22ClN5OS/c19-13-2-1-3-14(4-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)
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0.270n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170086
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C16H27N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,16,18,22H,2-4,6-9,17H2,1H3,(H,19,20)
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0.280n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170092
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
Show InChI InChI=1/C18H22ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)
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0.360n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170094
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSC4CCCCC4)C3)c[nH]c12
Show InChI InChI=1/C18H29N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h6,11,13-15,18,20,24H,1-5,7-10,19H2,(H,21,22)
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0.370n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM36496
PNG
(CHEMBL552894 | ImmA-pClPh)
Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(Cl)cc2)C(O)C1O
Show InChI InChI=1/C17H18ClN5O2S/c18-8-1-3-9(4-2-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22)
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0.576n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148132
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-m-to...)
Show SMILES Cc1cccc(SCC2NC(C(O)C2O)c2c[nH]c3c(N)ncnc23)c1
Show InChI InChI=1/C18H21N5O2S/c1-9-3-2-4-10(5-9)26-7-12-16(24)17(25)14(23-12)11-6-20-15-13(11)21-8-22-18(15)19/h2-6,8,12,14,16-17,20,23-25H,7H2,1H3,(H2,19,21,22)
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PubMed
0.628n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148134
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-p-to...)
Show SMILES Cc1ccc(SCC2NC(C(O)C2O)c2c[nH]c3c(N)ncnc23)cc1
Show InChI InChI=1/C18H21N5O2S/c1-9-2-4-10(5-3-9)26-7-12-16(24)17(25)14(23-12)11-6-20-15-13(11)21-8-22-18(15)19/h2-6,8,12,14,16-17,20,23-25H,7H2,1H3,(H2,19,21,22)
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0.640n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170082
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C14H23N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,14,16,20H,2,4-7,15H2,1H3,(H,17,18)
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0.650n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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0.700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170094
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSC4CCCCC4)C3)c[nH]c12
Show InChI InChI=1/C18H29N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h6,11,13-15,18,20,24H,1-5,7-10,19H2,(H,21,22)
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0.760n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170098
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(F)cc4)C3)c[nH]c12
Show InChI InChI=1/C18H22FN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)
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0.810n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170097
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CC(C)SCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C15H25N5OS/c1-9(2)22-7-11-5-20(6-12(11)21)4-10-3-17-14-13(10)18-8-19-15(14)16/h3,8-9,11-12,15,17,21H,4-7,16H2,1-2H3,(H,18,19)
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0.900n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170093
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...)
Show SMILES CSCC1[NH2+]C(C(O)C1O)c1c[nH]c2c(N)ncnc12
Show InChI InChI=1/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/p+1
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1n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50140797
PNG
((2S,3S,4R,5S)-2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12
Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/t6-,8+,10-,11+/m1/s1
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1n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148127
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-phen...)
Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccccc2)C(O)C1O
Show InChI InChI=1/C17H19N5O2S/c18-17-14-12(20-8-21-17)10(6-19-14)13-16(24)15(23)11(22-13)7-25-9-4-2-1-3-5-9/h1-6,8,11,13,15-16,19,22-24H,7H2,(H2,18,20,21)
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1n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170095
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C15H25N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h4,9,11-12,15,17,21H,2-3,5-8,16H2,1H3,(H,18,19)
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1.30n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148132
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-m-to...)
Show SMILES Cc1cccc(SCC2NC(C(O)C2O)c2c[nH]c3c(N)ncnc23)c1
Show InChI InChI=1/C18H21N5O2S/c1-9-3-2-4-10(5-9)26-7-12-16(24)17(25)14(23-12)11-6-20-15-13(11)21-8-22-18(15)19/h2-6,8,12,14,16-17,20,23-25H,7H2,1H3,(H2,19,21,22)
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1.39n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM36497
PNG
(CHEMBL191436 | DADMe-ImmA-Bn)
Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
Show InChI InChI=1/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)
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1.40n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170083
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccccc4)C3)c[nH]c12
Show InChI InChI=1/C18H23N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h1-6,11,13,15,18,20,24H,7-10,19H2,(H,21,22)
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1.5n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170089
PNG
(1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-...)
Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O
Show InChI InChI=1/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)
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1.70n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148130
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(4-f...)
Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(F)cc2)C(O)C1O
Show InChI InChI=1/C17H18FN5O2S/c18-8-1-3-9(4-2-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22)
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2n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170091
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccncc4)C3)c[nH]c12
Show InChI InChI=1/C17H22N6OS/c18-17-16-15(21-10-22-17)11(5-20-16)6-23-7-12(14(24)8-23)9-25-13-1-3-19-4-2-13/h1-5,10,12,14,17,20,24H,6-9,18H2,(H,21,22)
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2n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170088
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4cccc(Cl)c4)C3)c[nH]c12
Show InChI InChI=1/C18H22ClN5OS/c19-13-2-1-3-14(4-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)
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2n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as initial dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-
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PubMed
2.10 -49.5n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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PubMed
2.5 -49.1n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170084
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES CCCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C14H23N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(10)17-8-18-14(13)15/h4,8-9,11,14,16,20H,2-3,5-7,15H2,1H3,(H,17,18)
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3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148135
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(2-f...)
Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSCCF)C(O)C1O
Show InChI InChI=1/C13H18FN5O2S/c14-1-2-22-4-7-11(20)12(21)9(19-7)6-3-16-10-8(6)17-5-18-13(10)15/h3,5,7,9,11-12,16,19-21H,1-2,4H2,(H2,15,17,18)
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3.20n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148127
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-phen...)
Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccccc2)C(O)C1O
Show InChI InChI=1/C17H19N5O2S/c18-17-14-12(20-8-21-17)10(6-19-14)13-16(24)15(23)11(22-13)7-25-9-4-2-1-3-5-9/h1-6,8,11,13,15-16,19,22-24H,7H2,(H2,18,20,21)
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3.60n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148131
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-prop...)
Show SMILES CCCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12
Show InChI InChI=1/C14H21N5O2S/c1-2-3-22-5-8-12(20)13(21)10(19-8)7-4-16-11-9(7)17-6-18-14(11)15/h4,6,8,10,12-13,16,19-21H,2-3,5H2,1H3,(H2,15,17,18)
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4n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148134
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-p-to...)
Show SMILES Cc1ccc(SCC2NC(C(O)C2O)c2c[nH]c3c(N)ncnc23)cc1
Show InChI InChI=1/C18H21N5O2S/c1-9-2-4-10(5-3-9)26-7-12-16(24)17(25)14(23-12)11-6-20-15-13(11)21-8-22-18(15)19/h2-6,8,12,14,16-17,20,23-25H,7H2,1H3,(H2,19,21,22)
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4.40n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185909
PNG
(2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...)
Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
Show InChI InChI=1/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40)
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6n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148141
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(3-c...)
Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2cccc(Cl)c2)C(O)C1O
Show InChI InChI=1/C17H18ClN5O2S/c18-8-2-1-3-9(4-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22)
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6.40n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148130
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(4-f...)
Show SMILES Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(F)cc2)C(O)C1O
Show InChI InChI=1/C17H18FN5O2S/c18-8-1-3-9(4-2-8)26-6-11-15(24)16(25)13(23-11)10-5-20-14-12(10)21-7-22-17(14)19/h1-5,7,11,13,15-16,20,23-25H,6H2,(H2,19,21,22)
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6.40n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50170087
PNG
(1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...)
Show SMILES COCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O
Show InChI InChI=1/C13H21N5O2/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,13,15,19H,3-6,14H2,1H3,(H,16,17)
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8n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human MTAP as equilibrium dissociation constant


J Med Chem 48: 4679-89 (2005)


Article DOI: 10.1021/jm050269z
BindingDB Entry DOI: 10.7270/Q2FJ2HKR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185912
PNG
(2-(4-{1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-...)
Show SMILES CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C34H40ClN3O4/c1-33(2,32(40)41)38-21-17-34(18-22-38,26-10-4-3-5-11-26)31(39)36-27-15-19-37(20-16-27)24-25-9-8-12-28(23-25)42-30-14-7-6-13-29(30)35/h3-14,23,27H,15-22,24H2,1-2H3,(H,36,39)(H,40,41)
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9n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM36494
PNG
(CHEMBL554965 | ImmA-Et)
Show SMILES CCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12
Show InChI InChI=1/C13H19N5O2S/c1-2-21-4-7-11(19)12(20)9(18-7)6-3-15-10-8(6)16-5-17-13(10)14/h3,5,7,9,11-12,15,18-20H,2,4H2,1H3,(H2,14,16,17)
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9.20n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185908
PNG
(1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...)
Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1
Show InChI InChI=1S/C33H41N3O3/c1-3-35-22-18-33(19-23-35,27-11-5-4-6-12-27)32(37)34-28-16-20-36(21-17-28)25-26-10-9-13-29(24-26)39-31-15-8-7-14-30(31)38-2/h4-15,24,28H,3,16-23,25H2,1-2H3,(H,34,37)
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11n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
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