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Compile Data Set for Download or QSAR

Found 1595 hits with Last Name = 'chung' and Initial = 'cw'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50228930
PNG
((E)-2-(6-chloro-benzo[b]thiophen-2-yl)-ethenesulfo...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C27H22ClFN2O5S3/c1-38(33,34)26-5-3-2-4-21(26)17-7-9-24(22(29)15-17)31-12-10-23(27(31)32)30-39(35,36)13-11-20-14-18-6-8-19(28)16-25(18)37-20/h2-9,11,13-16,23,30H,10,12H2,1H3/b13-11+
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228950
PNG
((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H20ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,11,13-14,19,26H,10,12H2,1H3/b13-11+
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228954
PNG
((E)-2-(6-(3-(2-(5-chlorothiophen-2-yl)vinylsulfona...)
Show SMILES CN(C)S(=O)(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O
Show InChI InChI=1S/C23H23ClN4O5S3/c1-27(2)36(32,33)20-6-4-3-5-18(20)16-7-10-22(25-15-16)28-13-11-19(23(28)29)26-35(30,31)14-12-17-8-9-21(24)34-17/h3-10,12,14-15,19,26H,11,13H2,1-2H3/b14-12+
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263211
PNG
(2-Cyclobutylamino-N-[4'-(cyclopropylmethyl-carbamo...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O2/c1-18-5-12-24(32-28(34)22-13-14-29-26(15-22)31-23-3-2-4-23)16-25(18)20-8-10-21(11-9-20)27(33)30-17-19-6-7-19/h5,8-16,19,23H,2-4,6-7,17H2,1H3,(H,29,31)(H,30,33)(H,32,34)
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228940
PNG
(6-chloro-N-(1-(4-(2-cyanopyridin-3-yl)-2-fluorophe...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1cccnc1C#N
Show InChI InChI=1S/C26H18ClFN4O3S/c27-19-6-3-17-13-20(7-4-16(17)12-19)36(34,35)31-23-9-11-32(26(23)33)25-8-5-18(14-22(25)28)21-2-1-10-30-24(21)15-29/h1-8,10,12-14,23,31H,9,11H2
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0.700n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228932
PNG
(6-chloro-N-(1-(2-fluoro-4-(1-methyl-1H-imidazol-2-...)
Show SMILES Cn1ccnc1-c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1
Show InChI InChI=1S/C24H20ClFN4O3S/c1-29-11-9-27-23(29)17-4-7-22(20(26)14-17)30-10-8-21(24(30)31)28-34(32,33)19-6-3-15-12-18(25)5-2-16(15)13-19/h2-7,9,11-14,21,28H,8,10H2,1H3
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1.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228947
PNG
(6-chloro-benzofuran-2-sulfonic acid [1-(3-fluoro-2...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4o3)C2=O)c(F)c1
Show InChI InChI=1S/C25H20ClFN2O6S2/c1-36(31,32)23-5-3-2-4-18(23)15-7-9-21(19(27)12-15)29-11-10-20(25(29)30)28-37(33,34)24-13-16-6-8-17(26)14-22(16)35-24/h2-9,12-14,20,28H,10-11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length GCN5 expressed in bacterial expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length GCN5 expressed in bacterial expression system by BROMOscan method


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263261
PNG
(5'-(3-Furan-3-yl-benzoylamino)-2'-methyl-biphenyl-...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)-c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H26N2O3/c1-19-5-12-26(31-29(33)24-4-2-3-23(15-24)25-13-14-34-18-25)16-27(19)21-8-10-22(11-9-21)28(32)30-17-20-6-7-20/h2-5,8-16,18,20H,6-7,17H2,1H3,(H,30,32)(H,31,33)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228935
PNG
((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...)
Show SMILES Clc1ccc(\C=C\S(=O)(=O)NC2CCN(C2=O)c2ccc(cn2)-c2ccccc2C#N)s1
Show InChI InChI=1S/C22H17ClN4O3S2/c23-20-7-6-17(31-20)10-12-32(29,30)26-19-9-11-27(22(19)28)21-8-5-16(14-25-21)18-4-2-1-3-15(18)13-24/h1-8,10,12,14,19,26H,9,11H2/b12-10+
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1.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263129
PNG
(CHEMBL477182 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O2/c1-19-4-11-24(31-28(34)23-12-13-29-26(16-23)32-14-2-3-15-32)17-25(19)21-7-9-22(10-8-21)27(33)30-18-20-5-6-20/h4,7-13,16-17,20H,2-3,5-6,14-15,18H2,1H3,(H,30,33)(H,31,34)
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1.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263295
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-[(3-ter...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)Nc1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C29H32N2O2/c1-19-8-11-23(28(33)31-25-7-5-6-24(17-25)29(2,3)4)16-26(19)21-12-14-22(15-13-21)27(32)30-18-20-9-10-20/h5-8,11-17,20H,9-10,18H2,1-4H3,(H,30,32)(H,31,33)
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1.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359016
PNG
(CHEMBL1924017)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C26H24Cl2F3N3O4S/c27-18-5-10-24(23(15-18)33-39(36,37)20-8-9-22(28)21(16-20)26(29,30)31)38-19-6-3-17(4-7-19)25(35)32-11-14-34-12-1-2-13-34/h3-10,15-16,33H,1-2,11-14H2,(H,32,35)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17654
PNG
(5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ncc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S3/c1-11(16(24)22-6-8-28-9-7-22)23-5-4-12(17(23)25)21-31(26,27)18-20-10-14(30-18)13-2-3-15(19)29-13/h2-3,10-12,21H,4-9H2,1H3/t11-,12-/m0/s1
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2 -49.2n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228941
PNG
(5-chloro-thieno[3,2-b]pyridine-2-sulfonic acid [1-...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H19ClFN3O5S3/c1-36(31,32)21-5-3-2-4-15(21)14-6-7-19(16(26)12-14)29-11-10-17(24(29)30)28-37(33,34)23-13-18-20(35-23)8-9-22(25)27-18/h2-9,12-13,17,28H,10-11H2,1H3
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263260
PNG
(5'-[3-(2,5-Dimethyl-pyrrol-1-yl)-benzoylamino]-2'-...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C31H31N3O2/c1-20-7-16-27(18-29(20)24-12-14-25(15-13-24)30(35)32-19-23-10-11-23)33-31(36)26-5-4-6-28(17-26)34-21(2)8-9-22(34)3/h4-9,12-18,23H,10-11,19H2,1-3H3,(H,32,35)(H,33,36)
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2.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263167
PNG
(3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-4'-carboxy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35)
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228936
PNG
(6-chloro-N-(1-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-n1cccn1
Show InChI InChI=1S/C23H18ClFN4O3S/c24-17-4-2-16-13-19(6-3-15(16)12-17)33(31,32)27-21-8-11-28(23(21)30)22-7-5-18(14-20(22)25)29-10-1-9-26-29/h1-7,9-10,12-14,21,27H,8,11H2
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2.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359013
PNG
(CHEMBL1924014)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C26H25Cl2F3N4O4S/c27-18-14-23(34-40(37,38)20-8-9-22(28)21(15-20)26(29,30)31)25(33-16-18)39-19-6-4-17(5-7-19)24(36)32-10-13-35-11-2-1-3-12-35/h4-9,14-16,34H,1-3,10-13H2,(H,32,36)
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263212
PNG
(2-Cyclohexylamino-N-[4'-(cyclopropylmethyl-carbamo...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NC3CCCCC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C30H34N4O2/c1-20-7-14-26(18-27(20)22-10-12-23(13-11-22)29(35)32-19-21-8-9-21)34-30(36)24-15-16-31-28(17-24)33-25-5-3-2-4-6-25/h7,10-18,21,25H,2-6,8-9,19H2,1H3,(H,31,33)(H,32,35)(H,34,36)
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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4 -47.5n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359018
PNG
(CHEMBL1924019)
Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-24-16-25(40-18-6-4-17(5-7-18)26(36)33-10-13-35-11-2-3-12-35)23(15-22(24)29)34-41(37,38)19-8-9-21(28)20(14-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17641
PNG
(5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1
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4 -47.5n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50228949
PNG
(6-chloro-N-(1-(2-fluoro-4-(1H-imidazol-1-yl)phenyl...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-n1ccnc1
Show InChI InChI=1S/C23H18ClFN4O3S/c24-17-3-1-16-12-19(5-2-15(16)11-17)33(31,32)27-21-7-9-29(23(21)30)22-6-4-18(13-20(22)25)28-10-8-26-14-28/h1-6,8,10-14,21,27H,7,9H2
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4.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263168
PNG
(CHEMBL476351 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34)
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4.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263210
PNG
(CHEMBL478234 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES CC(C)CNc1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H32N4O2/c1-18(2)16-30-26-14-23(12-13-29-26)28(34)32-24-11-4-19(3)25(15-24)21-7-9-22(10-8-21)27(33)31-17-20-5-6-20/h4,7-15,18,20H,5-6,16-17H2,1-3H3,(H,29,30)(H,31,33)(H,32,34)
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4.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17653
PNG
(2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cnc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN4O5S3/c1-11(17(24)22-6-8-28-9-7-22)23-5-4-12(18(23)25)21-31(26,27)15-10-20-16(30-15)13-2-3-14(19)29-13/h2-3,10-12,21H,4-9H2,1H3/t11-,12-/m0/s1
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5 -46.9n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263170
PNG
(2-Cyclopropylamino-N-[4'-(cyclopropylmethyl-carbam...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NC3CC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C27H28N4O2/c1-17-2-9-23(31-27(33)21-12-13-28-25(14-21)30-22-10-11-22)15-24(17)19-5-7-20(8-6-19)26(32)29-16-18-3-4-18/h2,5-9,12-15,18,22H,3-4,10-11,16H2,1H3,(H,28,30)(H,29,32)(H,31,33)
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5.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359032
PNG
(CHEMBL1924024)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263168
PNG
(CHEMBL476351 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50262865
PNG
(CHEMBL477583 | Furan-3-carboxylic acid [4'-(cyclop...)
Show SMILES Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H22N2O3/c1-15-2-9-20(25-23(27)19-10-11-28-14-19)12-21(15)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,24,26)(H,25,27)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228946
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-(2-oxo-1-(5-(2-(tr...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O
Show InChI InChI=1S/C22H17ClF3N3O3S2/c23-19-7-6-15(33-19)10-12-34(31,32)28-18-9-11-29(21(18)30)20-8-5-14(13-27-20)16-3-1-2-4-17(16)22(24,25)26/h1-8,10,12-13,18,28H,9,11H2/b12-10+
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12538
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
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6 -46.5n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50228953
PNG
(5-chloro-benzofuran-2-sulfonic acid [1-(3-fluoro-2...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4cc(Cl)ccc4o3)C2=O)c(F)c1
Show InChI InChI=1S/C25H20ClFN2O6S2/c1-36(31,32)23-5-3-2-4-18(23)15-6-8-21(19(27)13-15)29-11-10-20(25(29)30)28-37(33,34)24-14-16-12-17(26)7-9-22(16)35-24/h2-9,12-14,20,28H,10-11H2,1H3
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6.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263209
PNG
(2-(Cyclopropylmethyl-amino)-N-[4'-(cyclopropylmeth...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NCC3CC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O2/c1-18-2-11-24(32-28(34)23-12-13-29-26(14-23)30-16-19-3-4-19)15-25(18)21-7-9-22(10-8-21)27(33)31-17-20-5-6-20/h2,7-15,19-20H,3-6,16-17H2,1H3,(H,29,30)(H,31,33)(H,32,34)
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228951
PNG
(6-chloro-N-(1-(2-fluoro-4-(pyridin-3-yl)phenyl)-2-...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1cccnc1
Show InChI InChI=1S/C25H19ClFN3O3S/c26-20-6-3-17-13-21(7-4-16(17)12-20)34(32,33)29-23-9-11-30(25(23)31)24-8-5-18(14-22(24)27)19-2-1-10-28-15-19/h1-8,10,12-15,23,29H,9,11H2
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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6.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359022
PNG
(CHEMBL1924023)
Show SMILES Cc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-18(26(36)33-10-13-35-11-2-3-12-35)4-8-24(17)39-25-9-5-19(28)15-23(25)34-40(37,38)20-6-7-22(29)21(16-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359017
PNG
(CHEMBL1924018)
Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-25(39-19-6-4-18(5-7-19)26(36)33-10-13-35-11-2-3-12-35)24(16-23(17)29)34-40(37,38)20-8-9-22(28)21(15-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)
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8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228945
PNG
(6-chloro-N-(1-(2-fluoro-4-(pyridin-4-yl)phenyl)-2-...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1ccncc1
Show InChI InChI=1S/C25H19ClFN3O3S/c26-20-4-1-18-14-21(5-2-17(18)13-20)34(32,33)29-23-9-12-30(25(23)31)24-6-3-19(15-22(24)27)16-7-10-28-11-8-16/h1-8,10-11,13-15,23,29H,9,12H2
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8.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263167
PNG
(3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-4'-carboxy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35)
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9n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
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9n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50228933
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-(1-(5-(2-(N-methyl...)
Show SMILES CN(c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)S(C)(=O)=O
Show InChI InChI=1S/C23H23ClN4O5S3/c1-27(35(2,30)31)20-6-4-3-5-18(20)16-7-10-22(25-15-16)28-13-11-19(23(28)29)26-36(32,33)14-12-17-8-9-21(24)34-17/h3-10,12,14-15,19,26H,11,13H2,1-2H3/b14-12+
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9.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359015
PNG
(CHEMBL1924016)
Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C28H28Cl2F3N3O5S/c1-40-25-17-26(41-19-7-5-18(6-8-19)27(37)34-11-14-36-12-3-2-4-13-36)24(16-23(25)30)35-42(38,39)20-9-10-22(29)21(15-20)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359012
PNG
(CHEMBL1924013)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C27H26Cl2F3N3O4S/c28-19-6-11-25(24(16-19)34-40(37,38)21-9-10-23(29)22(17-21)27(30,31)32)39-20-7-4-18(5-8-20)26(36)33-12-15-35-13-2-1-3-14-35/h4-11,16-17,34H,1-3,12-15H2,(H,33,36)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359023
PNG
(CHEMBL1170725)
Show SMILES Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl3N3O3S/c1-10-16(3-2-6-21-10)26-17-15(7-11(18)9-22-17)23-27(24,25)12-4-5-13(19)14(20)8-12/h2-9,23H,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs


Bioorg Med Chem Lett 21: 7291-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.038
BindingDB Entry DOI: 10.7270/Q2KK9C6D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263296
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-cy...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N)C(=O)Nc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C33H24N4O2/c1-22-11-12-27(33(39)37-29-9-5-7-26(19-29)31-10-2-3-17-35-31)20-30(22)24-13-15-25(16-14-24)32(38)36-28-8-4-6-23(18-28)21-34/h2-20H,1H3,(H,36,38)(H,37,39)
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11n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
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