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Compile Data Set for Download or QSAR

Found 687 hits with Last Name = 'naya' and Initial = 'a'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50073839
PNG
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-3 (MMP-3)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50073823
PNG
(CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-2 (MMP-2)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50073839
PNG
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-2 (MMP-2)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50073823
PNG
(CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1
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62n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-3 (MMP-3)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 0.240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-12


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 0.260n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50451954
PNG
(CHEMBL2111753)
Show SMILES ONC(=O)[C@]1(CCCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C18H19ClN2O6S/c19-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)21-18(17(22)20-23)10-1-11-26-12-18/h2-9,21,23H,1,10-12H2,(H,20,22)/t18-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148214
PNG
((R)-3-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-...)
Show SMILES ONC(=O)[C@]1(CCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H17ClN2O6S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(23,24)20-17(16(21)19-22)9-10-25-11-17/h1-8,20,22H,9-11H2,(H,19,21)/t17-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)|
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a<0.5n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148228
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H17FN2O5S/c18-12-2-4-13(5-3-12)25-14-6-8-15(9-7-14)26(23,24)20-17(10-1-11-17)16(21)19-22/h2-9,20,22H,1,10-11H2,(H,19,21)
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n/an/a 0.530n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148198
PNG
(4-[4-(3-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-2-1-3-15(12-13)27-14-4-6-16(7-5-14)28(24,25)21-18(17(22)20-23)8-10-26-11-9-18/h1-7,12,21,23H,8-11H2,(H,20,22)
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n/an/a 0.560n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50098624
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dichloro-9H-xanthe...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34?;
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n/an/a 0.580n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against I-Eotaxin binding to human CCR3 receptors


J Med Chem 44: 1429-35 (2001)


BindingDB Entry DOI: 10.7270/Q2G73D0G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50098643
PNG
(1-((E)-1-Cyclooct-1-enyl)methyl-4-[(2,7-dichloro-9...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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n/an/a 0.580n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148204
PNG
(3-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H21ClN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148232
PNG
(4-[4-(2-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-15-3-1-2-4-16(15)27-13-5-7-14(8-6-13)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333594
PNG
(4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-y...)
Show SMILES O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2
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n/an/a 0.670n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)|
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50098624
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dichloro-9H-xanthe...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34?;
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n/an/a 0.730n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.


J Med Chem 44: 1429-35 (2001)


BindingDB Entry DOI: 10.7270/Q2G73D0G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148223
PNG
((R)-3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-...)
Show SMILES ONC(=O)[C@]1(CCOC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H17FN2O6S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(23,24)20-17(16(21)19-22)9-10-25-11-17/h1-8,20,22H,9-11H2,(H,19,21)/t17-/m1/s1
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n/an/a 0.770n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333604
PNG
(1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(ben...)
Show SMILES CN(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)Cc1ccccc1
Show InChI InChI=1S/C28H28N2O3/c1-29(21-23-8-4-2-5-9-23)18-19-32-26-14-12-25(13-15-26)30-17-16-27(20-28(30)31)33-22-24-10-6-3-7-11-24/h2-17,20H,18-19,21-22H2,1H3
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n/an/a 0.810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148212
PNG
(4-[4-(4-Methoxy-phenoxy)-benzenesulfonylamino]-tet...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)NC2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C19H22N2O7S/c1-26-14-2-4-15(5-3-14)28-16-6-8-17(9-7-16)29(24,25)21-19(18(22)20-23)10-12-27-13-11-19/h2-9,21,23H,10-13H2,1H3,(H,20,22)
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n/an/a 0.870n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148201
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CCCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O5S/c19-13-3-5-14(6-4-13)26-15-7-9-16(10-8-15)27(24,25)21-18(17(22)20-23)11-1-2-12-18/h3-10,21,23H,1-2,11-12H2,(H,20,22)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148231
PNG
(2-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-N-hy...)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H17FN2O5S/c1-16(2,15(20)18-21)19-25(22,23)14-9-7-13(8-10-14)24-12-5-3-11(17)4-6-12/h3-10,19,21H,1-2H3,(H,18,20)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50098643
PNG
(1-((E)-1-Cyclooct-1-enyl)methyl-4-[(2,7-dichloro-9...)
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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n/an/a 0.900n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148197
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H15FN2O5S/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)25(22,23)19-16(9-10-16)15(20)18-21/h1-8,19,21H,9-10H2,(H,18,20)
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n/an/a 0.930n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148222
PNG
((S)-3-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-...)
Show SMILES ONC(=O)[C@@]1(CCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H17ClN2O6S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(23,24)20-17(16(21)19-22)9-10-25-11-17/h1-8,20,22H,9-11H2,(H,19,21)/t17-/m0/s1
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n/an/a 0.930n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148226
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H21FN2O5S/c20-14-4-6-15(7-5-14)27-16-8-10-17(11-9-16)28(25,26)22-19(18(23)21-24)12-2-1-3-13-19/h4-11,22,24H,1-3,12-13H2,(H,21,23)
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n/an/a 0.970n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148224
PNG
(4-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333616
PNG
(4-[(4-Methoxybenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)...)
Show SMILES COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50451953
PNG
(CHEMBL2111754)
Show SMILES ONC(=O)[C@]1(CCCOC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C18H19FN2O6S/c19-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)21-18(17(22)20-23)10-1-11-26-12-18/h2-9,21,23H,1,10-12H2,(H,20,22)/t18-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148227
PNG
((S)-3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-...)
Show SMILES ONC(=O)[C@@]1(CCOC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H17FN2O6S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(23,24)20-17(16(21)19-22)9-10-25-11-17/h1-8,20,22H,9-11H2,(H,19,21)/t17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50162116
PNG
(2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...)
Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1
Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50333615
PNG
(4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148210
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCSCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O5S2/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-27-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148217
PNG
(4-(4-Phenoxy-benzenesulfonylamino)-tetrahydro-pyra...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O6S/c21-17(19-22)18(10-12-25-13-11-18)20-27(23,24)16-8-6-15(7-9-16)26-14-4-2-1-3-5-14/h1-9,20,22H,10-13H2,(H,19,21)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148211
PNG
(4-[4-(4-Chloro-pyridin-2-yloxy)-benzenesulfonylami...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C17H18ClN3O6S/c18-12-5-8-19-15(11-12)27-13-1-3-14(4-2-13)28(24,25)21-17(16(22)20-23)6-9-26-10-7-17/h1-5,8,11,21,23H,6-7,9-10H2,(H,20,22)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148220
PNG
(4-[4-(4-Cyano-phenoxy)-benzenesulfonylamino]-tetra...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C19H19N3O6S/c20-13-14-1-3-15(4-2-14)28-16-5-7-17(8-6-16)29(25,26)22-19(18(23)21-24)9-11-27-12-10-19/h1-8,22,24H,9-12H2,(H,21,23)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333615
PNG
(4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333611
PNG
(4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl](methyl...)
Show SMILES CCN(CC)CCN(C)c1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)18-17-26(3)22-11-13-23(14-12-22)28-16-15-24(19-25(28)29)30-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333618
PNG
(4-[(3-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-4-19(16-20)18-30-23-10-13-27(24(28)17-23)21-6-8-22(9-7-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
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n/an/a 1.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...


Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50098636
PNG
(1-Cyclooct-1-enylmethyl-4-[(2,7-dibromo-9H-xanthen...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12 |t:4,(7.53,2.69,;6.21,1.9,;6.21,.35,;7.56,-.4,;9.14,.28,;10.55,-.32,;11.96,.28,;12.57,1.69,;11.96,3.14,;10.55,3.72,;9.14,3.12,;8.53,1.69,;4.86,1.11,;3.55,.35,;3.45,-1.39,;4.89,-1.96,;6.24,-1.17,;2.1,-2.16,;.88,-1.17,;.88,.35,;-.44,-1.96,;-1.76,-1.17,;-1.76,.35,;-3.11,1.12,;-3.11,2.69,;-4.46,.35,;-4.42,-1.2,;-3.11,-1.96,;-3.14,-3.5,;-1.79,-4.27,;-1.79,-5.79,;-.47,-6.57,;.88,-5.82,;2.2,-6.59,;.88,-4.28,;-.44,-3.5,)|
Show InChI InChI=1S/C30H36Br2N2O2/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3/p+1/b21-8+
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n/an/a 1.90n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.


J Med Chem 44: 1429-35 (2001)


BindingDB Entry DOI: 10.7270/Q2G73D0G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50199118
PNG
(CHEMBL3894825)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1
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n/an/a 2n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148213
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-1,1-...)
Show SMILES ONC(=O)C1(CCS(=O)(=O)CC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O7S2/c19-13-1-3-14(4-2-13)28-15-5-7-16(8-6-15)30(26,27)21-18(17(22)20-23)9-11-29(24,25)12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
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