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Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'stockley' and Initial = 'm'   
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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50156495
PNG
(8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chro...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
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0.650n/an/an/an/an/an/an/an/a



School of Natural Sciences--Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase receptor


J Med Chem 48: 7829-46 (2005)


Article DOI: 10.1021/jm050444b
BindingDB Entry DOI: 10.7270/Q2Z31Z60
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091438
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)
Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+
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50n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091449
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-methanesulf...)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Show InChI InChI=1S/C28H34Cl2N4O3S/c1-38(36,37)33-22-7-9-27-23(18-22)24(19-32-27)21-11-15-34(16-12-21)14-4-2-3-13-31-28(35)10-6-20-5-8-25(29)26(30)17-20/h5-10,17-19,21,32-33H,2-4,11-16H2,1H3,(H,31,35)/b10-6+
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79n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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120n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Binding affinity for DNA dependent protein kinase isolated from HeLa cells; Range is 20-120


J Med Chem 48: 569-85 (2005)


Article DOI: 10.1021/jm049526a
BindingDB Entry DOI: 10.7270/Q2BK1BV9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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120n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p110 alpha Phosphatidylinositol 3-kinase


J Med Chem 48: 569-85 (2005)


Article DOI: 10.1021/jm049526a
BindingDB Entry DOI: 10.7270/Q2BK1BV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091457
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-2-m...)
Show SMILES Cc1[nH]c2ccc(O)cc2c1C1CCN(CCCCCNC(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C28H33Cl2N3O2/c1-19-28(23-18-22(34)7-9-26(23)32-19)21-11-15-33(16-12-21)14-4-2-3-13-31-27(35)10-6-20-5-8-24(29)25(30)17-20/h5-10,17-18,21,32,34H,2-4,11-16H2,1H3,(H,31,35)/b10-6+
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234n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091454
PNG
((E)-3-(4-Bromo-phenyl)-N-{5-[4-(1H-indol-3-yl)-pip...)
Show SMILES Brc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H32BrN3O/c28-23-11-8-21(9-12-23)10-13-27(32)29-16-4-1-5-17-31-18-14-22(15-19-31)25-20-30-26-7-3-2-6-24(25)26/h2-3,6-13,20,22,30H,1,4-5,14-19H2,(H,29,32)/b13-10+
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350n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091461
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(4-hydroxy-1H-...)
Show SMILES Oc1cccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c12
Show InChI InChI=1S/C27H31Cl2N3O2/c28-22-9-7-19(17-23(22)29)8-10-26(34)30-13-2-1-3-14-32-15-11-20(12-16-32)21-18-31-24-5-4-6-25(33)27(21)24/h4-10,17-18,20,31,33H,1-3,11-16H2,(H,30,34)/b10-8+
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360n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091451
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(6-hydroxy-1H-...)
Show SMILES Oc1ccc2c(c[nH]c2c1)C1CCN(CCCCCNC(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-8-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-17-21(33)6-7-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+
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360n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091458
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C27H31Cl2N3O/c28-24-10-8-20(18-25(24)29)9-11-27(33)30-14-4-1-5-15-32-16-12-21(13-17-32)23-19-31-26-7-3-2-6-22(23)26/h2-3,6-11,18-19,21,31H,1,4-5,12-17H2,(H,30,33)/b11-9+
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420n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091465
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES Ic1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H32IN3O/c28-23-11-8-21(9-12-23)10-13-27(32)29-16-4-1-5-17-31-18-14-22(15-19-31)25-20-30-26-7-3-2-6-24(25)26/h2-3,6-13,20,22,30H,1,4-5,14-19H2,(H,29,32)/b13-10+
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460n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091445
PNG
((E)-3-(4-Chloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H32ClN3O/c28-23-11-8-21(9-12-23)10-13-27(32)29-16-4-1-5-17-31-18-14-22(15-19-31)25-20-30-26-7-3-2-6-24(25)26/h2-3,6-13,20,22,30H,1,4-5,14-19H2,(H,29,32)/b13-10+
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520n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091471
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES Cc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C28H35N3O/c1-22-9-11-23(12-10-22)13-14-28(32)29-17-5-2-6-18-31-19-15-24(16-20-31)26-21-30-27-8-4-3-7-25(26)27/h3-4,7-14,21,24,30H,2,5-6,15-20H2,1H3,(H,29,32)/b14-13+
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550n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091460
PNG
((E)-3-(3-Chloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C27H32ClN3O/c28-23-8-6-7-21(19-23)11-12-27(32)29-15-4-1-5-16-31-17-13-22(14-18-31)25-20-30-26-10-3-2-9-24(25)26/h2-3,6-12,19-20,22,30H,1,4-5,13-18H2,(H,29,32)/b12-11+
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560n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091470
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-methoxy-1H-...)
Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Show InChI InChI=1S/C28H33Cl2N3O2/c1-35-22-7-9-27-23(18-22)24(19-32-27)21-11-15-33(16-12-21)14-4-2-3-13-31-28(34)10-6-20-5-8-25(29)26(30)17-20/h5-10,17-19,21,32H,2-4,11-16H2,1H3,(H,31,34)/b10-6+
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590n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091442
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{4-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C26H29Cl2N3O/c27-23-9-7-19(17-24(23)28)8-10-26(32)29-13-3-4-14-31-15-11-20(12-16-31)22-18-30-25-6-2-1-5-21(22)25/h1-2,5-10,17-18,20,30H,3-4,11-16H2,(H,29,32)/b10-8+
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660n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091467
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES Cc1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C28H35N3O/c1-22-8-7-9-23(20-22)12-13-28(32)29-16-5-2-6-17-31-18-14-24(15-19-31)26-21-30-27-11-4-3-10-25(26)27/h3-4,7-13,20-21,24,30H,2,5-6,14-19H2,1H3,(H,29,32)/b13-12+
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790n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091448
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-...)
Show SMILES FC(F)(F)c1cccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C28H32F3N3O/c29-28(30,31)23-8-6-7-21(19-23)11-12-27(35)32-15-4-1-5-16-34-17-13-22(14-18-34)25-20-33-26-10-3-2-9-24(25)26/h2-3,6-12,19-20,22,33H,1,4-5,13-18H2,(H,32,35)/b12-11+
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790n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091439
PNG
((E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)c...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccccc1
Show InChI InChI=1S/C27H33N3O/c31-27(14-13-22-9-3-1-4-10-22)28-17-7-2-8-18-30-19-15-23(16-20-30)25-21-29-26-12-6-5-11-24(25)26/h1,3-6,9-14,21,23,29H,2,7-8,15-20H2,(H,28,31)/b14-13+
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870n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091468
PNG
((E)-3-(4-Dimethylamino-phenyl)-N-{5-[4-(1H-indol-3...)
Show SMILES CN(C)c1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C29H38N4O/c1-32(2)25-13-10-23(11-14-25)12-15-29(34)30-18-6-3-7-19-33-20-16-24(17-21-33)27-22-31-28-9-5-4-8-26(27)28/h4-5,8-15,22,24,31H,3,6-7,16-21H2,1-2H3,(H,30,34)/b15-12+
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1.20E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091443
PNG
((E)-3-Biphenyl-4-yl-N-{5-[4-(1H-indol-3-yl)-piperi...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H37N3O/c37-33(18-15-26-13-16-28(17-14-26)27-9-3-1-4-10-27)34-21-7-2-8-22-36-23-19-29(20-24-36)31-25-35-32-12-6-5-11-30(31)32/h1,3-6,9-18,25,29,35H,2,7-8,19-24H2,(H,34,37)/b18-15+
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1.45E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091441
PNG
(1-(3,4-Dichloro-phenyl)-3-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccc(NC(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C25H30Cl2N4O/c26-22-9-8-19(16-23(22)27)30-25(32)28-12-4-1-5-13-31-14-10-18(11-15-31)21-17-29-24-7-3-2-6-20(21)24/h2-3,6-9,16-18,29H,1,4-5,10-15H2,(H2,28,30,32)
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1.60E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091447
PNG
((E)-3-(4-tert-Butyl-phenyl)-N-{5-[4-(1H-indol-3-yl...)
Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C31H41N3O/c1-31(2,3)26-14-11-24(12-15-26)13-16-30(35)32-19-7-4-8-20-34-21-17-25(18-22-34)28-23-33-29-10-6-5-9-27(28)29/h5-6,9-16,23,25,33H,4,7-8,17-22H2,1-3H3,(H,32,35)/b16-13+
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1.70E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091453
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{3-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C25H27Cl2N3O/c26-22-8-6-18(16-23(22)27)7-9-25(31)28-12-3-13-30-14-10-19(11-15-30)21-17-29-24-5-2-1-4-20(21)24/h1-2,4-9,16-17,19,29H,3,10-15H2,(H,28,31)/b9-7+
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2.50E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091446
PNG
((E)-3-(4-Cyano-phenyl)-N-{5-[4-(1H-indol-3-yl)-pip...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)\C=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C28H32N4O/c29-20-23-10-8-22(9-11-23)12-13-28(33)30-16-4-1-5-17-32-18-14-24(15-19-32)26-21-31-27-7-3-2-6-25(26)27/h2-3,6-13,21,24,31H,1,4-5,14-19H2,(H,30,33)/b13-12+
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2.80E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091452
PNG
((E)-3-(4-Acetylamino-phenyl)-N-{5-[4-(1H-indol-3-y...)
Show SMILES CC(=O)Nc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C29H36N4O2/c1-22(34)32-25-12-9-23(10-13-25)11-14-29(35)30-17-5-2-6-18-33-19-15-24(16-20-33)27-21-31-28-8-4-3-7-26(27)28/h3-4,7-14,21,24,31H,2,5-6,15-20H2,1H3,(H,30,35)(H,32,34)/b14-11+
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2.90E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091456
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1-m...)
Show SMILES Cn1cc(C2CCN(CCCCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)CC2)c2cc(O)ccc12
Show InChI InChI=1S/C28H33Cl2N3O2/c1-32-19-24(23-18-22(34)7-9-27(23)32)21-11-15-33(16-12-21)14-4-2-3-13-31-28(35)10-6-20-5-8-25(29)26(30)17-20/h5-10,17-19,21,34H,2-4,11-16H2,1H3,(H,31,35)/b10-6+
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4.20E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50091438
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)
Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+
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4.26E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091466
PNG
((E)-3-(2-Chloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccccc1\C=C\C(=O)NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H32ClN3O/c28-25-10-4-2-8-22(25)12-13-27(32)29-16-6-1-7-17-31-18-14-21(15-19-31)24-20-30-26-11-5-3-9-23(24)26/h2-5,8-13,20-21,30H,1,6-7,14-19H2,(H,29,32)/b13-12+
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4.40E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091464
PNG
(2-(3,4-Dichloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccc(CC(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C26H31Cl2N3O/c27-23-9-8-19(16-24(23)28)17-26(32)29-12-4-1-5-13-31-14-10-20(11-15-31)22-18-30-25-7-3-2-6-21(22)25/h2-3,6-9,16,18,20,30H,1,4-5,10-15,17H2,(H,29,32)
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4.40E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091459
PNG
(3,4-Dichloro-N-{5-[4-(1H-indol-3-yl)-piperidin-1-y...)
Show SMILES Clc1ccc(cc1Cl)C(=O)NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H29Cl2N3O/c26-22-9-8-19(16-23(22)27)25(31)28-12-4-1-5-13-30-14-10-18(11-15-30)21-17-29-24-7-3-2-6-20(21)24/h2-3,6-9,16-18,29H,1,4-5,10-15H2,(H,28,31)
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5.10E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091444
PNG
(Biphenyl-4-carboxylic acid {5-[4-(1H-indol-3-yl)-p...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H35N3O/c35-31(27-15-13-25(14-16-27)24-9-3-1-4-10-24)32-19-7-2-8-20-34-21-17-26(18-22-34)29-23-33-30-12-6-5-11-28(29)30/h1,3-6,9-16,23,26,33H,2,7-8,17-22H2,(H,32,35)
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5.30E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the antagonist activity against human C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091444
PNG
(Biphenyl-4-carboxylic acid {5-[4-(1H-indol-3-yl)-p...)
Show SMILES O=C(NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H35N3O/c35-31(27-15-13-25(14-16-27)24-9-3-1-4-10-24)32-19-7-2-8-20-34-21-17-26(18-22-34)29-23-33-30-12-6-5-11-28(29)30/h1,3-6,9-16,23,26,33H,2,7-8,17-22H2,(H,32,35)
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5.40E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091450
PNG
(3-(3,4-Dichloro-phenyl)-N-{5-[4-(1H-indol-3-yl)-pi...)
Show SMILES Clc1ccc(CCC(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C27H33Cl2N3O/c28-24-10-8-20(18-25(24)29)9-11-27(33)30-14-4-1-5-15-32-16-12-21(13-17-32)23-19-31-26-7-3-2-6-22(23)26/h2-3,6-8,10,18-19,21,31H,1,4-5,9,11-17H2,(H,30,33)
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5.90E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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6.00E+3n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Binding affinity for Phosphatidylinositol-3-kinase isolated from HeLa cells; Range is 20-120


J Med Chem 48: 569-85 (2005)


Article DOI: 10.1021/jm049526a
BindingDB Entry DOI: 10.7270/Q2BK1BV9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091455
PNG
((E)-3-(4-Hydroxy-phenyl)-N-{5-[4-(1H-indol-3-yl)-p...)
Show SMILES Oc1ccc(\C=C\C(=O)NCCCCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H33N3O2/c31-23-11-8-21(9-12-23)10-13-27(32)28-16-4-1-5-17-30-18-14-22(15-19-30)25-20-29-26-7-3-2-6-24(25)26/h2-3,6-13,20,22,29,31H,1,4-5,14-19H2,(H,28,32)/b13-10+
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6.30E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091472
PNG
(4-Bromo-N-{5-[4-(1H-indol-3-yl)-piperidin-1-yl]-pe...)
Show SMILES Brc1ccc(cc1)C(=O)NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H30BrN3O/c26-21-10-8-20(9-11-21)25(30)27-14-4-1-5-15-29-16-12-19(13-17-29)23-18-28-24-7-3-2-6-22(23)24/h2-3,6-11,18-19,28H,1,4-5,12-17H2,(H,27,30)
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7.10E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091463
PNG
(3,4-Dichloro-N-{5-[4-(1H-indol-3-yl)-piperidin-1-y...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)NCCCCCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H29Cl2N3O2S/c25-22-9-8-19(16-23(22)26)32(30,31)28-12-4-1-5-13-29-14-10-18(11-15-29)21-17-27-24-7-3-2-6-20(21)24/h2-3,6-9,16-18,27-28H,1,4-5,10-15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091469
PNG
(Biphenyl-4-carboxylic acid {6-[4-(1H-indol-3-yl)-p...)
Show SMILES O=C(NCCCCCCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H37N3O/c36-32(28-16-14-26(15-17-28)25-10-4-3-5-11-25)33-20-8-1-2-9-21-35-22-18-27(19-23-35)30-24-34-31-13-7-6-12-29(30)31/h3-7,10-17,24,27,34H,1-2,8-9,18-23H2,(H,33,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091462
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{2-[4-(1H-indol-3-yl...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCN2CCC(CC2)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C24H25Cl2N3O/c25-21-7-5-17(15-22(21)26)6-8-24(30)27-11-14-29-12-9-18(10-13-29)20-16-28-23-4-2-1-3-19(20)23/h1-8,15-16,18,28H,9-14H2,(H,27,30)/b8-6+
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>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 2


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124354
PNG
(CHEMBL3623439)
Show SMILES Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24)
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n/an/a 0.300n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50124354
PNG
(CHEMBL3623439)
Show SMILES Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24)
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Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged LIMK2


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200622
PNG
(CHEMBL3917975)
Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r|
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Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124355
PNG
(CHEMBL3623442)
Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl
Show InChI InChI=1S/C19H18ClN3OS/c1-11(2)18(24)23-19-22-10-17(25-19)14-6-7-21-9-15(14)13-5-4-12(3)8-16(13)20/h4-11H,1-3H3,(H,22,23,24)
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Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 1.40n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5


Bioorg Med Chem Lett 10: 1803-6 (2000)


BindingDB Entry DOI: 10.7270/Q2H70F2Z
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200569
PNG
(CHEMBL3946146)
Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 |r|
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Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200579
PNG
(CHEMBL3917466)
Show SMILES C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r|
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Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50200572
PNG
(CHEMBL3889955)
Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 |r|
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Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124352
PNG
(CHEMBL3623441)
Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C18H16ClN3OS/c1-11(2)17(23)22-18-21-10-16(24-18)13-7-8-20-9-14(13)12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,22,23)
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Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124400
PNG
(CHEMBL3623438)
Show SMILES Clc1ccccc1-c1cnccc1-c1cnc(Nc2ccccc2)s1
Show InChI InChI=1S/C20H14ClN3S/c21-18-9-5-4-8-15(18)17-12-22-11-10-16(17)19-13-23-20(25-19)24-14-6-2-1-3-7-14/h1-13H,(H,23,24)
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Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
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