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Compile Data Set for Download or QSAR

Found 1001 hits with Last Name = 'tam' and Initial = 'b'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257637
PNG
(1-(4-aminopyridin-2-yl)-4-phenyl-N-(quinolin-2-yl)...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)(C(=O)Nc1ccc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C26H25N5O/c27-21-12-15-28-24(18-21)31-16-13-26(14-17-31,20-7-2-1-3-8-20)25(32)30-23-11-10-19-6-4-5-9-22(19)29-23/h1-12,15,18H,13-14,16-17H2,(H2,27,28)(H,29,30,32)
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257723
PNG
(2-(3-phenyl-3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES Nc1ccnc(c1)N1CCC2(CC1)OC(c1ccccc21)c1ccccc1
Show InChI InChI=1S/C23H23N3O/c24-18-10-13-25-21(16-18)26-14-11-23(12-15-26)20-9-5-4-8-19(20)22(27-23)17-6-2-1-3-7-17/h1-10,13,16,22H,11-12,14-15H2,(H2,24,25)
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50375654
PNG
(CHEMBL99203)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257639
PNG
((1-(4-aminopyridin-2-yl)-4-phenylpiperidin-4-yl)(3...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)(C(=O)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C26H28N4O/c27-23-10-14-28-24(18-23)29-16-12-26(13-17-29,22-8-2-1-3-9-22)25(31)30-15-11-20-6-4-5-7-21(20)19-30/h1-10,14,18H,11-13,15-17,19H2,(H2,27,28)
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35n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368712
PNG
(CHEMBL608051)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H12IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-6,10,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1
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40n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50400788
PNG
(CHEMBL2203612)
Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:19:18:17.10.11:15.13.14|
Show InChI InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Chem Biol Drug Des 67: 305-8 (2006)


Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257684
PNG
(CHEMBL495346 | N-(1-(4-aminopyridin-2-yl)-4-phenyl...)
Show SMILES COc1ccc(C(=O)NC2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C25H28N4O3/c1-31-20-8-9-21(22(17-20)32-2)24(30)28-25(18-6-4-3-5-7-18)11-14-29(15-12-25)23-16-19(26)10-13-27-23/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,30)
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82n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368710
PNG
(CHEMBL607761)
Show SMILES NC[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H13IN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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150n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368709
PNG
(CHEMBL607766)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CF)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H11FIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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160n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257638
PNG
(CHEMBL493743 | ethyl 4-(1-(4-aminopyridin-2-yl)-4-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
Show InChI InChI=1S/C24H31N5O3/c1-2-32-23(31)29-16-14-28(15-17-29)22(30)24(19-6-4-3-5-7-19)9-12-27(13-10-24)21-18-20(25)8-11-26-21/h3-8,11,18H,2,9-10,12-17H2,1H3,(H2,25,26)
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169n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368707
PNG
(CHEMBL612205)
Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C10H12IN5O3/c1-3-5(17)6(18)10(19-3)16-9-4(7(11)15-16)8(12)13-2-14-9/h2-3,5-6,10,17-18H,1H3,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1
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170n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257683
PNG
(1-(4-aminopyridin-2-yl)-N-(4-methoxybenzyl)-4-phen...)
Show SMILES COc1ccc(CNC(=O)C2(CCN(CC2)c2cc(N)ccn2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O2/c1-31-22-9-7-19(8-10-22)18-28-24(30)25(20-5-3-2-4-6-20)12-15-29(16-13-25)23-17-21(26)11-14-27-23/h2-11,14,17H,12-13,15-16,18H2,1H3,(H2,26,27)(H,28,30)
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201n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368708
PNG
(CHEMBL611890)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H11ClIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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300n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257685
PNG
(CHEMBL492330 | N-(1-(4-aminopyridin-2-yl)-4-phenyl...)
Show SMILES COc1ccc(cc1Cl)C(=O)NC1(CCN(CC1)c1cc(N)ccn1)c1ccccc1
Show InChI InChI=1S/C24H25ClN4O2/c1-31-21-8-7-17(15-20(21)25)23(30)28-24(18-5-3-2-4-6-18)10-13-29(14-11-24)22-16-19(26)9-12-27-22/h2-9,12,15-16H,10-11,13-14H2,1H3,(H2,26,27)(H,28,30)
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343n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257833
PNG
(3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-benzyl...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H24N6O/c24-18-8-12-25-21(15-18)27-13-9-19(10-14-27)29-22-20(7-4-11-26-22)28(23(29)30)16-17-5-2-1-3-6-17/h1-8,11-12,15,19H,9-10,13-14,16H2,(H2,24,25)
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518n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257686
PNG
(CHEMBL522317 | N-(1-(4-aminopyridin-2-yl)-4-phenyl...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)(NC(=O)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H23N5O/c23-18-9-13-25-20(16-18)27-14-10-22(11-15-27,17-6-2-1-3-7-17)26-21(28)19-8-4-5-12-24-19/h1-9,12-13,16H,10-11,14-15H2,(H2,23,25)(H,26,28)
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548n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257834
PNG
(3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-(cyclo...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(CC2CC2)c1=O
Show InChI InChI=1S/C20H24N6O/c21-15-5-9-22-18(12-15)24-10-6-16(7-11-24)26-19-17(2-1-8-23-19)25(20(26)27)13-14-3-4-14/h1-2,5,8-9,12,14,16H,3-4,6-7,10-11,13H2,(H2,21,22)
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746n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257831
PNG
(3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-(4-met...)
Show SMILES COc1ccc(cc1)-n1c2cccnc2n(C2CCN(CC2)c2cc(N)ccn2)c1=O
Show InChI InChI=1S/C23H24N6O2/c1-31-19-6-4-17(5-7-19)28-20-3-2-11-26-22(20)29(23(28)30)18-9-13-27(14-10-18)21-15-16(24)8-12-25-21/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H2,24,25)
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865n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257832
PNG
(3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-phenyl...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)n1c2ncccc2n(-c2ccccc2)c1=O
Show InChI InChI=1S/C22H22N6O/c23-16-8-12-24-20(15-16)26-13-9-18(10-14-26)28-21-19(7-4-11-25-21)27(22(28)29)17-5-2-1-3-6-17/h1-8,11-12,15,18H,9-10,13-14H2,(H2,23,24)
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903n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257781
PNG
(2-(3-(3-methoxyphenyl)-3-methylazetidin-1-yl)pyrid...)
Show SMILES COc1cccc(c1)C1(C)CN(C1)c1cc(N)ccn1
Show InChI InChI=1S/C16H19N3O/c1-16(12-4-3-5-14(8-12)20-2)10-19(11-16)15-9-13(17)6-7-18-15/h3-9H,10-11H2,1-2H3,(H2,17,18)
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1.84E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257780
PNG
((S)-1'-(4-aminopyridin-2-yl)-N,N-dimethyl-2,3-dihy...)
Show SMILES CN(C)C(=O)[C@H]1CC2(CCN(CC2)c2cc(N)ccn2)c2ccccc12 |r|
Show InChI InChI=1S/C21H26N4O/c1-24(2)20(26)17-14-21(18-6-4-3-5-16(17)18)8-11-25(12-9-21)19-13-15(22)7-10-23-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H2,22,23)/t17-/m0/s1
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4.71E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257782
PNG
(CHEMBL493515 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES COc1ccc(cc1)C(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1cc(C)ccn1
Show InChI InChI=1S/C24H27N5O2/c1-17-7-11-27-23(15-17)29(24(30)18-3-5-21(31-2)6-4-18)20-9-13-28(14-10-20)22-16-19(25)8-12-26-22/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H2,25,26)
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5.03E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368706
PNG
(CHEMBL607762)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H11IN8O3/c11-7-4-8(12)14-2-15-9(4)19(17-7)10-6(21)5(20)3(22-10)1-16-18-13/h2-3,5-6,10,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,10?/m1/s1
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8.50E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257784
PNG
(CHEMBL493517 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES COc1cccc(c1)C(=O)N(C1CCN(CC1)c1cc(N)ccn1)c1ccccn1
Show InChI InChI=1S/C23H25N5O2/c1-30-20-6-4-5-17(15-20)23(29)28(21-7-2-3-11-25-21)19-9-13-27(14-10-19)22-16-18(24)8-12-26-22/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H2,24,26)
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9.69E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257830
PNG
(CHEMBL493781 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CC1)c1ccccn1
Show InChI InChI=1S/C19H23N5O/c20-15-6-10-22-18(13-15)23-11-7-16(8-12-23)24(19(25)14-4-5-14)17-3-1-2-9-21-17/h1-3,6,9-10,13-14,16H,4-5,7-8,11-12H2,(H2,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257783
PNG
(CHEMBL493516 | N-(1-(4-aminopyridin-2-yl)piperidin...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)N(C(=O)C1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H29N5O/c23-18-9-13-25-21(16-18)26-14-10-19(11-15-26)27(20-8-4-5-12-24-20)22(28)17-6-2-1-3-7-17/h4-5,8-9,12-13,16-17,19H,1-3,6-7,10-11,14-15H2,(H2,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257719
PNG
((S)-N-(1-(4-aminopyridin-2-yl)-4-phenylpiperidin-4...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)(NC(=O)[C@@H]1CCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C21H26N4O2/c22-17-8-11-23-19(15-17)25-12-9-21(10-13-25,16-5-2-1-3-6-16)24-20(26)18-7-4-14-27-18/h1-3,5-6,8,11,15,18H,4,7,9-10,12-14H2,(H2,22,23)(H,24,26)/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257722
PNG
((S)-1'-(4-aminopyridin-2-yl)-N,N-diethyl-3H-spiro[...)
Show SMILES CCN(CC)C(=O)[C@H]1OC2(CCN(CC2)c2cc(N)ccn2)c2ccccc12 |r|
Show InChI InChI=1S/C22H28N4O2/c1-3-25(4-2)21(27)20-17-7-5-6-8-18(17)22(28-20)10-13-26(14-11-22)19-15-16(23)9-12-24-19/h5-9,12,15,20H,3-4,10-11,13-14H2,1-2H3,(H2,23,24)/t20-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Cytochrome P450 2E1


(Homo sapiens (Human))
BDBM50088436
PNG
(BS-749 | CHEBI:76987 | METACETAMOL | Metacetamol)
Show SMILES CC(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)
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9.50E+6n/an/an/an/an/an/an/an/a



Pacific University Oregon

Curated by ChEMBL


Assay Description
Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity by HPLC analysis


Drug Metab Dispos 40: 1460-5 (2012)


Article DOI: 10.1124/dmd.112.045492
BindingDB Entry DOI: 10.7270/Q27H1M9T
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276291
PNG
(CHEMBL472464 | N-benzyl-N-(1'-(2,6-dimethylbenzoyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CC1
Show InChI InChI=1S/C31H41N3O2/c1-23-8-7-9-24(2)28(23)30(36)32-20-16-31(3,17-21-32)33-18-14-27(15-19-33)34(29(35)26-12-13-26)22-25-10-5-4-6-11-25/h4-11,26-27H,12-22H2,1-3H3
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50291559
PNG
(CHEMBL268473 | {2-Benzo[1,3]dioxol-5-yl-1-[(S)-2-b...)
Show SMILES OP(O)(=O)C(Cc1ccc2OCOc2c1)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C24H24N5O5P/c30-35(31,32)23(14-17-8-11-21-22(13-17)34-15-33-21)25-20(24-26-28-29-27-24)12-16-6-9-19(10-7-16)18-4-2-1-3-5-18/h1-11,13,20,23,25H,12,14-15H2,(H2,30,31,32)(H,26,27,28,29)/t20-,23?/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)


Article DOI: 10.1016/S0960-894X(97)00159-5
BindingDB Entry DOI: 10.7270/Q2WH2QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50189399
PNG
((S)-N-(3-(4-(2-(4-fluorophenyl)acetamido)piperidin...)
Show SMILES Fc1ccc(CC(=O)NC2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H34FN3O2/c28-23-11-9-20(10-12-23)19-26(32)29-24-13-16-31(17-14-24)18-15-25(21-5-2-1-3-6-21)30-27(33)22-7-4-8-22/h1-3,5-6,9-12,22,24-25H,4,7-8,13-19H2,(H,29,32)(H,30,33)/t25-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]MIP-1beta binding to CCR5 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4633-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.012
BindingDB Entry DOI: 10.7270/Q2QF8SHW
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50291555
PNG
(CHEMBL276690 | {2-Benzo[1,3]dioxol-4-yl-1-[(S)-2-b...)
Show SMILES OP(O)(=O)C(Cc1cccc2OCOc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C24H24N5O5P/c30-35(31,32)22(14-19-7-4-8-21-23(19)34-15-33-21)25-20(24-26-28-29-27-24)13-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-12,20,22,25H,13-15H2,(H2,30,31,32)(H,26,27,28,29)/t20-,22?/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)


Article DOI: 10.1016/S0960-894X(97)00159-5
BindingDB Entry DOI: 10.7270/Q2WH2QGK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50291558
PNG
(CHEMBL276872 | {1-[(S)-2-Biphenyl-4-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(Cc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C23H24N5O3P/c29-32(30,31)22(16-17-7-3-1-4-8-17)24-21(23-25-27-28-26-23)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,24H,15-16H2,(H2,29,30,31)(H,25,26,27,28)/t21-,22?/m0/s1
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n/an/a 0.740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)


Article DOI: 10.1016/S0960-894X(97)00159-5
BindingDB Entry DOI: 10.7270/Q2WH2QGK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)


Article DOI: 10.1016/S0960-894X(97)00159-5
BindingDB Entry DOI: 10.7270/Q2WH2QGK
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50352206
PNG
(CHEMBL1825089)
Show SMILES CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
Show InChI InChI=1S/C25H35N7O3S/c1-36(33,34)31(13-12-30-14-16-35-17-15-30)22-10-8-21(9-11-22)28-25-26-18-20-19-27-32(24(20)29-25)23-6-4-2-3-5-7-23/h8-11,18-19,23H,2-7,12-17H2,1H3,(H,26,28,29)
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n/an/a 1n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 using a fluorescent probe 7-methoxy-4-trifluoromethylcoumarin


Bioorg Med Chem Lett 21: 5633-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.129
BindingDB Entry DOI: 10.7270/Q2HM58VW
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase


J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276260
PNG
((R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276259
PNG
(CHEMBL481068 | exo-N-benzyl-N-((R)-1-(8-(2,6-dimet...)
Show SMILES Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r,THB:8:10:15.16.17:12.13|
Show InChI InChI=1S/C31H39N3O2/c1-21-7-6-8-22(2)29(21)31(36)34-25-13-14-26(34)18-28(17-25)32-16-15-27(20-32)33(30(35)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-28H,11-20H2,1-2H3/t25-,26+,27-,28-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).


J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50400791
PNG
(CHEMBL2203619)
Show SMILES Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C28H36N4O/c1-21-29-25-13-6-7-14-26(25)32(21)28(2)16-19-31(20-17-28)18-15-24(22-9-4-3-5-10-22)30-27(33)23-11-8-12-23/h3-7,9-10,13-14,23-24H,8,11-12,15-20H2,1-2H3,(H,30,33)/t24-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor


Chem Biol Drug Des 67: 305-8 (2006)


Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 1.5n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50379503
PNG
(CHEMBL2012415)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r|
Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50291557
PNG
(CHEMBL268761 | {1-[(S)-2-Biphenyl-4-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(Cc1cccc2cccnc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C26H25N6O3P/c33-36(34,35)24(17-22-9-4-8-21-10-5-15-27-25(21)22)28-23(26-29-31-32-30-26)16-18-11-13-20(14-12-18)19-6-2-1-3-7-19/h1-15,23-24,28H,16-17H2,(H2,33,34,35)(H,29,30,31,32)/t23-,24?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)


Article DOI: 10.1016/S0960-894X(97)00159-5
BindingDB Entry DOI: 10.7270/Q2WH2QGK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6811
PNG
(18,23-dimethyl-3,13,18-triazahexacyclo[14.7.0.0^{2...)
Show SMILES Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C22H15N3O2/c1-10-9-11-7-8-25(2)20(11)16-14(10)19-15(12-5-3-4-6-13(12)23-19)17-18(16)22(27)24-21(17)26/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 2n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384169
PNG
(CHEMBL2029912)
Show SMILES CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Show InChI InChI=1S/C30H41N9O/c1-21(2)9-10-38-19-23(18-32-38)26-15-22-17-31-30(34-28(22)39(26)25-7-5-6-8-25)33-24-16-27(36(4)20-24)29(40)37-13-11-35(3)12-14-37/h15-21,25H,5-14H2,1-4H3,(H,31,33,34)
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n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50400795
PNG
(CHEMBL2203615)
Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:18:17:16.10.11:13.14|
Show InChI InChI=1S/C29H36N4O/c1-20-30-27-12-5-6-13-28(27)33(20)25-18-23-14-15-24(19-25)32(23)17-16-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1beta from CCR5 receptor


Chem Biol Drug Des 67: 305-8 (2006)


Article DOI: 10.1111/j.1747-0285.2006.00376.x
BindingDB Entry DOI: 10.7270/Q2D50P44
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50379494
PNG
(CHEMBL2012406)
Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384165
PNG
(CHEMBL2029908)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C25H30N8O2/c1-30-7-9-32(10-8-30)24(34)21-12-18(15-31(21)2)28-25-27-13-17-11-20(22-14-26-16-35-22)33(23(17)29-25)19-5-3-4-6-19/h11-16,19H,3-10H2,1-2H3,(H,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50384166
PNG
(CHEMBL2029909)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)23-13-20(17-32(23)2)29-26-27-14-18-12-22(19-15-28-33(3)16-19)35(24(18)30-26)21-6-4-5-7-21/h12-17,21H,4-11H2,1-3H3,(H,27,29,30)
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n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair
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