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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'mahmood' and Initial = 'n'   
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
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031261
PNG
(5-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-2-hydroxyme...)
Show SMILES Nc1ccnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C11H14N4O3/c12-6-1-2-13-11-10(6)14-5-15(11)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13)
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190n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031276
PNG
(2-Hydroxymethyl-5-(7-methylamino-imidazo[4,5-b]pyr...)
Show SMILES CNc1ccnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C12H16N4O3/c1-13-7-2-3-14-12-11(7)15-6-16(12)10-4-8(18)9(5-17)19-10/h2-3,6,8-10,17-18H,4-5H2,1H3,(H,13,14)
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250n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50023668
PNG
(2-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-5-hydroxyme...)
Show SMILES Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11?/m1/s1
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380n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031283
PNG
(CHEMBL130928 | [5-(7-Methylamino-imidazo[4,5-b]pyr...)
Show SMILES CNc1ccnc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C12H16N4O2/c1-13-9-4-5-14-12-11(9)15-7-16(12)10-3-2-8(6-17)18-10/h4-5,7-8,10,17H,2-3,6H2,1H3,(H,13,14)
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2.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031268
PNG
(CHEMBL336531 | [5-(7-Amino-imidazo[4,5-b]pyridin-3...)
Show SMILES Nc1ccnc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C11H14N4O2/c12-8-3-4-13-11-10(8)14-6-15(11)9-2-1-7(5-16)17-9/h3-4,6-7,9,16H,1-2,5H2,(H2,12,13)
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2.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031292
PNG
(5-(5-Chloro-7-methylamino-imidazo[4,5-b]pyridin-3-...)
Show SMILES CNc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C12H15ClN4O3/c1-14-6-2-9(13)16-12-11(6)15-5-17(12)10-3-7(19)8(4-18)20-10/h2,5,7-8,10,18-19H,3-4H2,1H3,(H,14,16)
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4.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031260
PNG
(5-(7-Cyclopropylamino-imidazo[4,5-b]pyridin-3-yl)-...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CC3)ccnc12
Show InChI InChI=1S/C14H18N4O3/c19-6-11-10(20)5-12(21-11)18-7-16-13-9(17-8-1-2-8)3-4-15-14(13)18/h3-4,7-8,10-12,19-20H,1-2,5-6H2,(H,15,17)
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5.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031265
PNG
(CHEMBL130172 | [5-(5-Chloro-7-methylamino-imidazo[...)
Show SMILES CNc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C12H15ClN4O2/c1-14-8-4-9(13)16-12-11(8)15-6-17(12)10-3-2-7(5-18)19-10/h4,6-7,10,18H,2-3,5H2,1H3,(H,14,16)
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1.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50369062
PNG
(CHEMBL611298)
Show SMILES CNc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H16N4O4/c1-13-6-2-3-14-11-8(6)15-5-16(11)12-10(19)9(18)7(4-17)20-12/h2-3,5,7,9-10,12,17-19H,4H2,1H3,(H,13,14)/t7-,9-,10-,12?/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031264
PNG
(5-(7-Cyclopentylamino-imidazo[4,5-b]pyridin-3-yl)-...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCC3)ccnc12
Show InChI InChI=1S/C16H22N4O3/c21-8-13-12(22)7-14(23-13)20-9-18-15-11(5-6-17-16(15)20)19-10-3-1-2-4-10/h5-6,9-10,12-14,21-22H,1-4,7-8H2,(H,17,19)
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2.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031290
PNG
(5-(7-Amino-5-chloro-imidazo[4,5-b]pyridin-3-yl)-2-...)
Show SMILES Nc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C11H13ClN4O3/c12-8-1-5(13)10-11(15-8)16(4-14-10)9-2-6(18)7(3-17)19-9/h1,4,6-7,9,17-18H,2-3H2,(H2,13,15)
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2.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031259
PNG
(5-(7-Cyclobutylamino-imidazo[4,5-b]pyridin-3-yl)-2...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCC3)ccnc12
Show InChI InChI=1S/C15H20N4O3/c20-7-12-11(21)6-13(22-12)19-8-17-14-10(4-5-16-15(14)19)18-9-2-1-3-9/h4-5,8-9,11-13,20-21H,1-3,6-7H2,(H,16,18)
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2.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407530
PNG
(CHEMBL2113392)
Show SMILES Nc1cc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H13ClN4O4/c12-6-1-4(13)7-10(15-6)16(3-14-7)11-9(19)8(18)5(2-17)20-11/h1,3,5,8-9,11,17-19H,2H2,(H2,13,15)/t5-,8-,9-,11-/m1/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407528
PNG
(CHEMBL2113478)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ccnc12 |r|
Show InChI InChI=1S/C14H18N4O4/c19-5-9-11(20)12(21)14(22-9)18-6-16-10-8(17-7-1-2-7)3-4-15-13(10)18/h3-4,6-7,9,11-12,14,19-21H,1-2,5H2,(H,15,17)/t9-,11-,12-,14-/m1/s1
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3.80E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031267
PNG
(5-(7-Cycloheptylamino-imidazo[4,5-b]pyridin-3-yl)-...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCCCC3)ccnc12
Show InChI InChI=1S/C18H26N4O3/c23-10-15-14(24)9-16(25-15)22-11-20-17-13(7-8-19-18(17)22)21-12-5-3-1-2-4-6-12/h7-8,11-12,14-16,23-24H,1-6,9-10H2,(H,19,21)
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4.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031271
PNG
(CHEMBL338919 | [5-(7-Cycloheptylamino-imidazo[4,5-...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)ccnc12
Show InChI InChI=1S/C18H26N4O2/c23-11-14-7-8-16(24-14)22-12-20-17-15(9-10-19-18(17)22)21-13-5-3-1-2-4-6-13/h9-10,12-14,16,23H,1-8,11H2,(H,19,21)
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5.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031284
PNG
(5-(7-Cyclooctylamino-imidazo[4,5-b]pyridin-3-yl)-2...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCCCCC3)ccnc12
Show InChI InChI=1S/C19H28N4O3/c24-11-16-15(25)10-17(26-16)23-12-21-18-14(8-9-20-19(18)23)22-13-6-4-2-1-3-5-7-13/h8-9,12-13,15-17,24-25H,1-7,10-11H2,(H,20,22)
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5.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50369063
PNG
(CHEMBL610136)
Show SMILES CNc1cc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H15ClN4O4/c1-14-5-2-7(13)16-11-8(5)15-4-17(11)12-10(20)9(19)6(3-18)21-12/h2,4,6,9-10,12,18-20H,3H2,1H3,(H,14,16)/t6-,9-,10-,12?/m1/s1
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6.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031269
PNG
(CHEMBL449699 | [5-(7-Cyclohexylamino-imidazo[4,5-b...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCC3)ccnc12
Show InChI InChI=1S/C17H24N4O2/c22-10-13-6-7-15(23-13)21-11-19-16-14(8-9-18-17(16)21)20-12-4-2-1-3-5-12/h8-9,11-13,15,22H,1-7,10H2,(H,18,20)
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6.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50369061
PNG
(CHEMBL604965)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 |r|
Show InChI InChI=1S/C19H27ClN4O4/c20-14-8-12(22-11-6-4-2-1-3-5-7-11)15-18(23-14)24(10-21-15)19-17(27)16(26)13(9-25)28-19/h8,10-11,13,16-17,19,25-27H,1-7,9H2,(H,22,23)/t13-,16-,17-,19?/m1/s1
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7.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031262
PNG
(5-(5-Chloro-7-cyclopropylamino-imidazo[4,5-b]pyrid...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CC3)cc(Cl)nc12
Show InChI InChI=1S/C14H17ClN4O3/c15-11-3-8(17-7-1-2-7)13-14(18-11)19(6-16-13)12-4-9(21)10(5-20)22-12/h3,6-7,9-10,12,20-21H,1-2,4-5H2,(H,17,18)
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7.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031280
PNG
(CHEMBL337739 | [5-(7-Cyclopropylamino-imidazo[4,5-...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CC3)ccnc12
Show InChI InChI=1S/C14H18N4O2/c19-7-10-3-4-12(20-10)18-8-16-13-11(17-9-1-2-9)5-6-15-14(13)18/h5-6,8-10,12,19H,1-4,7H2,(H,15,17)
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7.80E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50369065
PNG
(CHEMBL606228)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ccnc12 |r|
Show InChI InChI=1S/C19H28N4O4/c24-10-14-16(25)17(26)19(27-14)23-11-21-15-13(8-9-20-18(15)23)22-12-6-4-2-1-3-5-7-12/h8-9,11-12,14,16-17,19,24-26H,1-7,10H2,(H,20,22)/t14-,16-,17-,19?/m1/s1
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8.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031255
PNG
(5-(7-Cyclohexylamino-imidazo[4,5-b]pyridin-3-yl)-2...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCCC3)ccnc12
Show InChI InChI=1S/C17H24N4O3/c22-9-14-13(23)8-15(24-14)21-10-19-16-12(6-7-18-17(16)21)20-11-4-2-1-3-5-11/h6-7,10-11,13-15,22-23H,1-5,8-9H2,(H,18,20)
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8.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031257
PNG
(CHEMBL130032 | [5-(7-Cyclobutylamino-imidazo[4,5-b...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCC3)ccnc12
Show InChI InChI=1S/C15H20N4O2/c20-8-11-4-5-13(21-11)19-9-17-14-12(6-7-16-15(14)19)18-10-2-1-3-10/h6-7,9-11,13,20H,1-5,8H2,(H,16,18)
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9.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407531
PNG
(CHEMBL2113477)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)cc(Cl)nc12 |r|
Show InChI InChI=1S/C15H19ClN4O4/c16-10-4-8(18-7-2-1-3-7)11-14(19-10)20(6-17-11)15-13(23)12(22)9(5-21)24-15/h4,6-7,9,12-13,15,21-23H,1-3,5H2,(H,18,19)/t9-,12-,13-,15-/m1/s1
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9.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031291
PNG
(CHEMBL128347 | [5-(5-Chloro-7-cyclohexylamino-imid...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C17H23ClN4O2/c18-14-8-13(20-11-4-2-1-3-5-11)16-17(21-14)22(10-19-16)15-7-6-12(9-23)24-15/h8,10-12,15,23H,1-7,9H2,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031289
PNG
(5-(5-Chloro-7-cyclooctylamino-imidazo[4,5-b]pyridi...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C19H27ClN4O3/c20-16-8-13(22-12-6-4-2-1-3-5-7-12)18-19(23-16)24(11-21-18)17-9-14(26)15(10-25)27-17/h8,11-12,14-15,17,25-26H,1-7,9-10H2,(H,22,23)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031285
PNG
(5-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyrid...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C18H25ClN4O3/c19-15-7-12(21-11-5-3-1-2-4-6-11)17-18(22-15)23(10-20-17)16-8-13(25)14(9-24)26-16/h7,10-11,13-14,16,24-25H,1-6,8-9H2,(H,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031286
PNG
(CHEMBL130652 | [5-(5-Chloro-7-cyclobutylamino-imid...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCC3)cc(Cl)nc12
Show InChI InChI=1S/C15H19ClN4O2/c16-12-6-11(18-9-2-1-3-9)14-15(19-12)20(8-17-14)13-5-4-10(7-21)22-13/h6,8-10,13,21H,1-5,7H2,(H,18,19)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031279
PNG
(CHEMBL128674 | [5-(7-Cyclopentylamino-imidazo[4,5-...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCC3)ccnc12
Show InChI InChI=1S/C16H22N4O2/c21-9-12-5-6-14(22-12)20-10-18-15-13(7-8-17-16(15)20)19-11-3-1-2-4-11/h7-8,10-12,14,21H,1-6,9H2,(H,17,19)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031275
PNG
(CHEMBL437219 | [5-(5-Chloro-7-cyclopropylamino-imi...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CC3)cc(Cl)nc12
Show InChI InChI=1S/C14H17ClN4O2/c15-11-5-10(17-8-1-2-8)13-14(18-11)19(7-16-13)12-4-3-9(6-20)21-12/h5,7-9,12,20H,1-4,6H2,(H,17,18)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031273
PNG
(5-(5-Chloro-7-cyclohexylamino-imidazo[4,5-b]pyridi...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C17H23ClN4O3/c18-14-6-11(20-10-4-2-1-3-5-10)16-17(21-14)22(9-19-16)15-7-12(24)13(8-23)25-15/h6,9-10,12-13,15,23-24H,1-5,7-8H2,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031272
PNG
(CHEMBL128050 | [5-(5-Chloro-7-cyclooctylamino-imid...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C19H27ClN4O2/c20-16-10-15(22-13-6-4-2-1-3-5-7-13)18-19(23-16)24(12-21-18)17-9-8-14(11-25)26-17/h10,12-14,17,25H,1-9,11H2,(H,22,23)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50369058
PNG
(CHEMBL611851)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ccnc12 |r|
Show InChI InChI=1S/C18H26N4O4/c23-9-13-15(24)16(25)18(26-13)22-10-20-14-12(7-8-19-17(14)22)21-11-5-3-1-2-4-6-11/h7-8,10-11,13,15-16,18,23-25H,1-6,9H2,(H,19,21)/t13-,15-,16-,18?/m1/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031263
PNG
(CHEMBL129891 | [5-(5-Chloro-7-cyclopentylamino-imi...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCC3)cc(Cl)nc12
Show InChI InChI=1S/C16H21ClN4O2/c17-13-7-12(19-10-3-1-2-4-10)15-16(20-13)21(9-18-15)14-6-5-11(8-22)23-14/h7,9-11,14,22H,1-6,8H2,(H,19,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50369057
PNG
(CHEMBL612225)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12 |r|
Show InChI InChI=1S/C18H25ClN4O4/c19-13-7-11(21-10-5-3-1-2-4-6-10)14-17(22-13)23(9-20-14)18-16(26)15(25)12(8-24)27-18/h7,9-10,12,15-16,18,24-26H,1-6,8H2,(H,21,22)/t12-,15-,16-,18?/m1/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031258
PNG
(5-(5-Chloro-7-cyclopentylamino-imidazo[4,5-b]pyrid...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12
Show InChI InChI=1S/C16H21ClN4O3/c17-13-5-10(19-9-3-1-2-4-9)15-16(20-13)21(8-18-15)14-6-11(23)12(7-22)24-14/h5,8-9,11-12,14,22-23H,1-4,6-7H2,(H,19,20)
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031254
PNG
(CHEMBL275433 | [5-(7-Amino-5-chloro-imidazo[4,5-b]...)
Show SMILES Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C11H13ClN4O2/c12-8-3-7(13)10-11(15-8)16(5-14-10)9-2-1-6(4-17)18-9/h3,5-6,9,17H,1-2,4H2,(H2,13,15)
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031253
PNG
(5-(5-Chloro-7-cyclobutylamino-imidazo[4,5-b]pyridi...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CCC3)cc(Cl)nc12
Show InChI InChI=1S/C15H19ClN4O3/c16-12-4-9(18-8-2-1-3-8)14-15(19-12)20(7-17-14)13-5-10(22)11(6-21)23-13/h4,7-8,10-11,13,21-22H,1-3,5-6H2,(H,18,19)
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407527
PNG
(CHEMBL2113521)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)cc(Cl)nc12 |r|
Show InChI InChI=1S/C14H17ClN4O4/c15-9-3-7(17-6-1-2-6)10-13(18-9)19(5-16-10)14-12(22)11(21)8(4-20)23-14/h3,5-6,8,11-12,14,20-22H,1-2,4H2,(H,17,18)/t8-,11-,12-,14-/m1/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407525
PNG
(CHEMBL2113387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12 |r|
Show InChI InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407532
PNG
(CHEMBL2113516)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ccnc12 |r|
Show InChI InChI=1S/C15H20N4O4/c20-6-10-12(21)13(22)15(23-10)19-7-17-11-9(4-5-16-14(11)19)18-8-2-1-3-8/h4-5,7-8,10,12-13,15,20-22H,1-3,6H2,(H,16,18)/t10-,12-,13-,15-/m1/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407529
PNG
(CHEMBL2113389)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ccnc12 |r|
Show InChI InChI=1S/C16H22N4O4/c21-7-11-13(22)14(23)16(24-11)20-8-18-12-10(5-6-17-15(12)20)19-9-3-1-2-4-9/h5-6,8-9,11,13-14,16,21-23H,1-4,7H2,(H,17,19)/t11-,13-,14-,16-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407524
PNG
(CHEMBL2113390)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12 |r|
Show InChI InChI=1S/C16H21ClN4O4/c17-11-5-9(19-8-3-1-2-4-8)12-15(20-11)21(7-18-12)16-14(24)13(23)10(6-22)25-16/h5,7-8,10,13-14,16,22-24H,1-4,6H2,(H,19,20)/t10-,13-,14-,16-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50407526
PNG
(CHEMBL2113391)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12 |r|
Show InChI InChI=1S/C17H23ClN4O4/c18-12-6-10(20-9-4-2-1-3-5-9)13-16(21-12)22(8-19-13)17-15(25)14(24)11(7-23)26-17/h6,8-9,11,14-15,17,23-25H,1-5,7H2,(H,20,21)/t11-,14-,15-,17-/m1/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031266
PNG
(CHEMBL131998 | [5-(7-Cyclooctylamino-imidazo[4,5-b...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCCCC3)ccnc12
Show InChI InChI=1S/C19H28N4O2/c24-12-15-8-9-17(25-15)23-13-21-18-16(10-11-20-19(18)23)22-14-6-4-2-1-3-5-7-14/h10-11,13-15,17,24H,1-9,12H2,(H,20,22)
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031294
PNG
(CHEMBL128405 | [5-(5-Chloro-7-cycloheptylamino-imi...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C18H25ClN4O2/c19-15-9-14(21-12-5-3-1-2-4-6-12)17-18(22-15)23(11-20-17)16-8-7-13(10-24)25-16/h9,11-13,16,24H,1-8,10H2,(H,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM152488
PNG
(5(4'-Hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Oc1ccc(cc1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C8H6N2O2S/c11-6-3-1-5(2-4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
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Article
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n/an/a 3.82E+4n/an/an/an/a7.4n/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 Ál contained 145 Ál of potassium phosphate buffer (pH 7.4), 30 Ál of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
Thymidine phosphorylase (TP)


(Escherichia coli (Enterobacteria))
BDBM50134399
PNG
(1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione | 7...)
Show SMILES O=c1[nH]c2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
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n/an/a 3.87E+4n/an/an/an/a7.4n/a



COMSATS Institute of Information Technology



Assay Description
Briefly, a total reaction mixture of 200 Ál contained 145 Ál of potassium phosphate buffer (pH 7.4), 30 Ál of enzyme at concentration 0.05 and 0.002 ...


Bioorg Chem 60: 37-41 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2JH3JW5
More data for this
Ligand-Target Pair
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