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Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'fukushima' and Initial = 'k'   
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
GRIK1


(Homo sapiens (Human))
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Yokohama City University

Curated by ChEMBL


Assay Description
Displacement of [3H]kianic acid from recombinant GluK1 kainate receptor (unknown origin) expressed in HEK293 cell membranes measured after 1 hr


Bioorg Med Chem Lett 26: 5164-5167 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.074
BindingDB Entry DOI: 10.7270/Q2ZG6V6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Yokohama City University

Curated by ChEMBL


Assay Description
Displacement of [3H]kianic acid from recombinant GluK2 kainate receptor (unknown origin) expressed in HEK293 cell membranes measured after 1 hr


Bioorg Med Chem Lett 26: 5164-5167 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.074
BindingDB Entry DOI: 10.7270/Q2ZG6V6F
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149846
PNG
(2''-Amino-6''-(2-cyclopropylmethoxy-6-hydroxy-phen...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCC1CC1
Show InChI InChI=1S/C21H24N4O2/c22-10-16-15(14-3-2-8-24-11-14)9-17(25-21(16)23)20-18(26)4-1-5-19(20)27-12-13-6-7-13/h1,4-5,9,13-14,24,26H,2-3,6-8,11-12H2,(H2,23,25)
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n/an/a 3n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196700
PNG
(5-((3-(3-(prop-1-en-2-yl)benzyl)cyclohexyl)methyl)...)
Show SMILES [O-][N+](=O)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C19H21N5O2/c25-24(26)18-5-1-3-14(9-18)12-23-8-2-4-17(13-23)21-16-6-7-19-15(10-16)11-20-22-19/h1,3,5-7,9-11,17,21H,2,4,8,12-13H2,(H,20,22)
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n/an/a 3n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196694
PNG
(CHEMBL225166 | N-(1-(thiophen-3-ylmethyl)piperidin...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccsc1
Show InChI InChI=1S/C17H20N4S/c1-2-16(11-21(6-1)10-13-5-7-22-12-13)19-15-3-4-17-14(8-15)9-18-20-17/h3-5,7-9,12,16,19H,1-2,6,10-11H2,(H,18,20)
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n/an/a 3n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149839
PNG
(2''-Amino-6''-(2-cyclobutylmethoxy-6-hydroxy-pheny...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCC1CCC1
Show InChI InChI=1S/C22H26N4O2/c23-11-17-16(15-6-3-9-25-12-15)10-18(26-22(17)24)21-19(27)7-2-8-20(21)28-13-14-4-1-5-14/h2,7-8,10,14-15,25,27H,1,3-6,9,12-13H2,(H2,24,26)
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n/an/a 4n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149832
PNG
(2''-Amino-6''-(2-hydroxy-6-propoxy-phenyl)-1,2,3,4...)
Show SMILES CCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
Show InChI InChI=1S/C20H24N4O2/c1-2-9-26-18-7-3-6-17(25)19(18)16-10-14(13-5-4-8-23-12-13)15(11-21)20(22)24-16/h3,6-7,10,13,23,25H,2,4-5,8-9,12H2,1H3,(H2,22,24)
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n/an/a 5n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196718
PNG
(CHEMBL373512 | N-(1-(thiophen-2-ylmethyl)piperidin...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1cccs1
Show InChI InChI=1S/C17H20N4S/c1-3-15(11-21(7-1)12-16-4-2-8-22-16)19-14-5-6-17-13(9-14)10-18-20-17/h2,4-6,8-10,15,19H,1,3,7,11-12H2,(H,18,20)
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n/an/a 5n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149833
PNG
(2''-Amino-6''-(2-hydroxy-6-isobutoxy-phenyl)-1,2,3...)
Show SMILES CC(C)COc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
Show InChI InChI=1S/C21H26N4O2/c1-13(2)12-27-19-7-3-6-18(26)20(19)17-9-15(14-5-4-8-24-11-14)16(10-22)21(23)25-17/h3,6-7,9,13-14,24,26H,4-5,8,11-12H2,1-2H3,(H2,23,25)
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n/an/a 5n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149838
PNG
(2''-Amino-6''-(2-hydroxy-6-pentyloxy-phenyl)-1,2,3...)
Show SMILES CCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
Show InChI InChI=1S/C22H28N4O2/c1-2-3-4-11-28-20-9-5-8-19(27)21(20)18-12-16(15-7-6-10-25-14-15)17(13-23)22(24)26-18/h5,8-9,12,15,25,27H,2-4,6-7,10-11,14H2,1H3,(H2,24,26)
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n/an/a 6n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289610
PNG
(CHEMBL44717 | [3-(4,5,7-Trifluoro-benzothiazol-2-y...)
Show SMILES OC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C16H10F3NO2S/c17-10-7-11(18)16-15(14(10)19)20-12(23-16)5-8-2-1-3-9(4-8)6-13(21)22/h1-4,7H,5-6H2,(H,21,22)
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n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289614
PNG
(CHEMBL288748 | [3-Chloro-5-(4,5,7-trifluoro-benzot...)
Show SMILES OC(=O)Cc1cc(Cl)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C16H9ClF3NO2S/c17-9-2-7(1-8(3-9)5-13(22)23)4-12-21-15-14(20)10(18)6-11(19)16(15)24-12/h1-3,6H,4-5H2,(H,22,23)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289613
PNG
(CHEMBL44743 | {Phenyl-[3-(4,5,7-trifluoro-benzothi...)
Show SMILES OC(=O)CN(C(=O)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1
Show InChI InChI=1S/C18H13F3N2O3S/c19-11-8-12(20)18-17(16(11)21)22-13(27-18)6-7-14(24)23(9-15(25)26)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,25,26)
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n/an/a 8.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289624
PNG
(CHEMBL44780 | {Phenyl-[3-(4,5,7-trifluoro-benzothi...)
Show SMILES OC(=O)CN(C(=S)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1
Show InChI InChI=1S/C18H13F3N2O2S2/c19-11-8-12(20)18-17(16(11)21)22-13(27-18)6-7-14(26)23(9-15(24)25)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,24,25)
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n/an/a 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149825
PNG
(2-Amino-6-(2-cyclopropylmethoxy-6-hydroxy-phenyl)-...)
Show SMILES Nc1nc(cc(C2CCNCC2)c1C#N)-c1c(O)cccc1OCC1CC1
Show InChI InChI=1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24,26H,4-9,12H2,(H2,23,25)
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n/an/a 8.5n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289628
PNG
(3-Carboxymethyl-5-(4,5,7-trifluoro-benzothiazol-2-...)
Show SMILES OC(=O)Cc1cc(Cc2nc3c(F)c(F)cc(F)c3s2)cc(c1)C(O)=O
Show InChI InChI=1S/C17H10F3NO4S/c18-10-6-11(19)16-15(14(10)20)21-12(26-16)4-7-1-8(5-13(22)23)3-9(2-7)17(24)25/h1-3,6H,4-5H2,(H,22,23)(H,24,25)
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n/an/a 8.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289617
PNG
(CHEMBL47614 | [3-Fluoro-5-(4,5,7-trifluoro-benzoth...)
Show SMILES OC(=O)Cc1cc(F)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C16H9F4NO2S/c17-9-2-7(1-8(3-9)5-13(22)23)4-12-21-15-14(20)10(18)6-11(19)16(15)24-12/h1-3,6H,4-5H2,(H,22,23)
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n/an/a 8.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196692
PNG
(CHEMBL388516 | N-(1-(4-methylbenzyl)piperidin-3-yl...)
Show SMILES Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H24N4/c1-15-4-6-16(7-5-15)13-24-10-2-3-19(14-24)22-18-8-9-20-17(11-18)12-21-23-20/h4-9,11-12,19,22H,2-3,10,13-14H2,1H3,(H,21,23)
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n/an/a 9n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149843
PNG
(2''-Amino-6''-(2-benzyloxy-6-hydroxy-phenyl)-1,2,3...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCc1ccccc1
Show InChI InChI=1S/C24H24N4O2/c25-13-19-18(17-8-5-11-27-14-17)12-20(28-24(19)26)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17,27,29H,5,8,11,14-15H2,(H2,26,28)
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n/an/a 9n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289616
PNG
(CHEMBL45751 | [2-Chloro-3-(4,5,7-trifluoro-benzoth...)
Show SMILES OC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1Cl
Show InChI InChI=1S/C16H9ClF3NO2S/c17-13-7(2-1-3-8(13)5-12(22)23)4-11-21-15-14(20)9(18)6-10(19)16(15)24-11/h1-3,6H,4-5H2,(H,22,23)
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n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289621
PNG
(CHEMBL46074 | [3-Bromo-5-(4,5,7-trifluoro-benzothi...)
Show SMILES OC(=O)Cc1cc(Br)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C16H9BrF3NO2S/c17-9-2-7(1-8(3-9)5-13(22)23)4-12-21-15-14(20)10(18)6-11(19)16(15)24-12/h1-3,6H,4-5H2,(H,22,23)
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n/an/a 9.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289629
PNG
(CHEMBL47646 | [3-Oxo-4-(4,5,7-trifluoro-benzothiaz...)
Show SMILES OC(=O)CC1Sc2ccccc2N(Cc2nc3c(F)c(F)cc(F)c3s2)C1=O
Show InChI InChI=1S/C18H11F3N2O3S2/c19-8-5-9(20)17-16(15(8)21)22-13(28-17)7-23-10-3-1-2-4-11(10)27-12(18(23)26)6-14(24)25/h1-5,12H,6-7H2,(H,24,25)
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n/an/a 9.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289612
PNG
(CHEMBL46170 | [3-Methyl-5-(4,5,7-trifluoro-benzoth...)
Show SMILES Cc1cc(CC(O)=O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C17H12F3NO2S/c1-8-2-9(4-10(3-8)6-14(22)23)5-13-21-16-15(20)11(18)7-12(19)17(16)24-13/h2-4,7H,5-6H2,1H3,(H,22,23)
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n/an/a 9.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289625
PNG
(CHEMBL43995 | {Benzyl-[3-(4,5,7-trifluoro-benzothi...)
Show SMILES OC(=O)CN(Cc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1
Show InChI InChI=1S/C19H15F3N2O3S/c20-12-8-13(21)19-18(17(12)22)23-14(28-19)6-7-15(25)24(10-16(26)27)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,26,27)
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n/an/a 9.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196690
PNG
(CHEMBL224535 | N-(1-(4-aminobenzyl)piperidin-3-yl)...)
Show SMILES Nc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H23N5/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13,20H2,(H,21,23)
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n/an/a 10n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196711
PNG
(1-benzyl-3-piperidyl-(1H-5-indazolyl)ether | 5-(1-...)
Show SMILES C(N1CCCC(C1)Oc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C19H21N3O/c1-2-5-15(6-3-1)13-22-10-4-7-18(14-22)23-17-8-9-19-16(11-17)12-20-21-19/h1-3,5-6,8-9,11-12,18H,4,7,10,13-14H2,(H,20,21)
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n/an/a 10n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196695
PNG
(CHEMBL224510 | N-(1-(3,4-difluorobenzyl)piperidin-...)
Show SMILES Fc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C19H20F2N4/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12H2,(H,22,24)
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n/an/a 10n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289615
PNG
(CHEMBL45290 | [3-Iodo-5-(4,5,7-trifluoro-benzothia...)
Show SMILES OC(=O)Cc1cc(I)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C16H9F3INO2S/c17-10-6-11(18)16-15(14(10)19)21-12(24-16)4-7-1-8(5-13(22)23)3-9(20)2-7/h1-3,6H,4-5H2,(H,22,23)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289620
PNG
(CHEMBL442690 | {Methyl-[3-(4,5,7-trifluoro-benzoth...)
Show SMILES CN(CC(O)=O)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1
Show InChI InChI=1S/C13H11F3N2O2S2/c1-18(5-10(19)20)9(21)3-2-8-17-12-11(16)6(14)4-7(15)13(12)22-8/h4H,2-3,5H2,1H3,(H,19,20)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196689
PNG
(CHEMBL224166 | N-(1-((1H-pyrrol-2-yl)methyl)piperi...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc[nH]1
Show InChI InChI=1S/C17H21N5/c1-3-15(18-7-1)11-22-8-2-4-16(12-22)20-14-5-6-17-13(9-14)10-19-21-17/h1,3,5-7,9-10,16,18,20H,2,4,8,11-12H2,(H,19,21)
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n/an/a 11n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196682
PNG
(CHEMBL426925 | N-(1-(4-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H21ClN4/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13H2,(H,21,23)
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n/an/a 11n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149828
PNG
(2-Amino-6-(2-cyclobutylmethoxy-6-hydroxy-phenyl)-1...)
Show SMILES Nc1nc(cc(C2CCNCC2)c1C#N)-c1c(O)cccc1OCC1CCC1
Show InChI InChI=1S/C22H26N4O2/c23-12-17-16(15-7-9-25-10-8-15)11-18(26-22(17)24)21-19(27)5-2-6-20(21)28-13-14-3-1-4-14/h2,5-6,11,14-15,25,27H,1,3-4,7-10,13H2,(H2,24,26)
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n/an/a 12n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM16496
PNG
(2-{3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4...)
Show SMILES OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O
Show InChI InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Sus scrofa)
BDBM50289619
PNG
(CHEMBL542104 | [3-Dimethylamino-5-(4,5,7-trifluoro...)
Show SMILES CN(C)c1cc(CC(O)=O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C18H15F3N2O2S/c1-23(2)11-4-9(3-10(5-11)7-15(24)25)6-14-22-17-16(21)12(19)8-13(20)18(17)26-14/h3-5,8H,6-7H2,1-2H3,(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50289623
PNG
(CHEMBL296769 | {Methyl-[3-(4,5,7-trifluoro-benzoth...)
Show SMILES CN(CC(O)=O)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1
Show InChI InChI=1S/C13H11F3N2O3S/c1-18(5-10(20)21)9(19)3-2-8-17-12-11(16)6(14)4-7(15)13(12)22-8/h4H,2-3,5H2,1H3,(H,20,21)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196707
PNG
(CHEMBL390837 | N-(1-(2-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccccc1CN1CCCC(C1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H21ClN4/c20-18-6-2-1-4-14(18)12-24-9-3-5-17(13-24)22-16-7-8-19-15(10-16)11-21-23-19/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2,(H,21,23)
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n/an/a 13n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149831
PNG
(2''-Amino-6''-(2-heptyloxy-6-hydroxy-phenyl)-1,2,3...)
Show SMILES CCCCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
Show InChI InChI=1S/C24H32N4O2/c1-2-3-4-5-6-13-30-22-11-7-10-21(29)23(22)20-14-18(17-9-8-12-27-16-17)19(15-25)24(26)28-20/h7,10-11,14,17,27,29H,2-6,8-9,12-13,16H2,1H3,(H2,26,28)
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n/an/a 14n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149852
PNG
(2''-Amino-6''-(2-ethoxy-6-hydroxy-phenyl)-1,2,3,4,...)
Show SMILES CCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
Show InChI InChI=1S/C19H22N4O2/c1-2-25-17-7-3-6-16(24)18(17)15-9-13(12-5-4-8-22-11-12)14(10-20)19(21)23-15/h3,6-7,9,12,22,24H,2,4-5,8,11H2,1H3,(H2,21,23)
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n/an/a 14n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149850
PNG
(2-Amino-6-(2-butoxy-6-hydroxy-phenyl)-1'',2'',3'',...)
Show SMILES CCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
Show InChI InChI=1S/C21H26N4O2/c1-2-3-11-27-19-6-4-5-18(26)20(19)17-12-15(14-7-9-24-10-8-14)16(13-22)21(23)25-17/h4-6,12,14,24,26H,2-3,7-11H2,1H3,(H2,23,25)
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n/an/a 15n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149837
PNG
(2-Amino-6-(2-hydroxy-6-isobutoxy-phenyl)-1'',2'',3...)
Show SMILES CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
Show InChI InChI=1S/C21H26N4O2/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25)
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n/an/a 15n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149842
PNG
(2''-Amino-6''-(2,6-dihydroxy-phenyl)-1,2,3,4,5,6-h...)
Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1O
Show InChI InChI=1S/C17H18N4O2/c18-8-12-11(10-3-2-6-20-9-10)7-13(21-17(12)19)16-14(22)4-1-5-15(16)23/h1,4-5,7,10,20,22-23H,2-3,6,9H2,(H2,19,21)
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n/an/a 15n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196712
PNG
(CHEMBL225637 | N-(1-(4-methoxybenzyl)piperidin-3-y...)
Show SMILES COc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H24N4O/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)
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n/an/a 16n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196704
PNG
(1-benzyl-N-(1H-5-indazolyl)piperidine-3-carboxamid...)
Show SMILES O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C20H22N4O/c25-20(22-18-8-9-19-17(11-18)12-21-23-19)16-7-4-10-24(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,21,23)(H,22,25)
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n/an/a 18n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Programmed cell death protein 1/Programmed cell death 1 ligand 1


(Homo sapiens-Homo sapiens (Human))
BDBM50239947
PNG
(CHEMBL4089730 | US9872852, Example 202)
Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O
Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
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n/an/a 18n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ig-tagged human PD1/His-tagged human PDL1 interaction incubated for 30 mins by HTRF assay


Bioorg Med Chem Lett 29: 2464-2467 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Sus scrofa)
BDBM50289626
PNG
(CHEMBL297861 | [2-(4,5,7-Trifluoro-benzothiazol-2-...)
Show SMILES OC(=O)Cc1ccccc1Cc1nc2c(F)c(F)cc(F)c2s1
Show InChI InChI=1S/C16H10F3NO2S/c17-10-7-11(18)16-15(14(10)19)20-12(23-16)5-8-3-1-2-4-9(8)6-13(21)22/h1-4,7H,5-6H2,(H,21,22)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate


Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196728
PNG
(CHEMBL389168 | N-(1-(3-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C19H21ClN4/c20-16-4-1-3-14(9-16)12-24-8-2-5-18(13-24)22-17-6-7-19-15(10-17)11-21-23-19/h1,3-4,6-7,9-11,18,22H,2,5,8,12-13H2,(H,21,23)
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n/an/a 19n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196725
PNG
(CHEMBL224885 | N-(1-benzyl-3-piperidyl)-N-(1H-5-in...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C19H22N4/c1-2-5-15(6-3-1)13-23-10-4-7-18(14-23)21-17-8-9-19-16(11-17)12-20-22-19/h1-3,5-6,8-9,11-12,18,21H,4,7,10,13-14H2,(H,20,22)
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n/an/a 20n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196687
PNG
(1-(2,6-dichlorobenzyl)-3-(1H-indazol-5-yl)urea | 1...)
Show SMILES Clc1cccc(Cl)c1CNC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H12Cl2N4O/c16-12-2-1-3-13(17)11(12)8-18-15(22)20-10-4-5-14-9(6-10)7-19-21-14/h1-7H,8H2,(H,19,21)(H2,18,20,22)
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n/an/a 20n/an/an/an/an/an/a



Kirin Brewery Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50149826
PNG
(2-Amino-6-(2-hydroxy-6-pentyloxy-phenyl)-1'',2'',3...)
Show SMILES CCCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
Show InChI InChI=1S/C22H28N4O2/c1-2-3-4-12-28-20-7-5-6-19(27)21(20)18-13-16(15-8-10-25-11-9-15)17(14-23)22(24)26-18/h5-7,13,15,25,27H,2-4,8-12H2,1H3,(H2,24,26)
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n/an/a 20n/an/an/an/an/an/a



Kyoto 619-0216

Curated by ChEMBL


Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)


Bioorg Med Chem Lett 14: 4019-22 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M
More data for this
Ligand-Target Pair
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