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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'webb' and Initial = 'eg'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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2.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (Human))
BDBM50346920
PNG
(CHEMBL1795686)
Show SMILES CCc1c(OCc2ccc(F)cc2F)ncn(-c2cc(ccc2C)C(=O)NCCO)c1=O
Show InChI InChI=1S/C23H23F2N3O4/c1-3-18-22(32-12-16-6-7-17(24)11-19(16)25)27-13-28(23(18)31)20-10-15(5-4-14(20)2)21(30)26-8-9-29/h4-7,10-11,13,29H,3,8-9,12H2,1-2H3,(H,26,30)
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50346919
PNG
(CHEMBL1795685)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(C)c1=O)C(=O)NCCO
Show InChI InChI=1S/C22H21F2N3O4/c1-13-3-4-15(20(29)25-7-8-28)9-19(13)27-12-26-21(14(2)22(27)30)31-11-16-5-6-17(23)10-18(16)24/h3-6,9-10,12,28H,7-8,11H2,1-2H3,(H,25,29)
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17n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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193n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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>4.00E+5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gastrin-Releasing peptide


(RAT)
BDBM50112639
PNG
(CHEMBL402688 | pQ-Q-R-Y-G-N-Q-W-A-V-G-H-L-M-NH2)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C74H108N24O19S/c1-36(2)26-50(70(114)91-45(62(78)106)23-25-118-6)95-71(115)53(29-41-32-81-35-86-41)89-60(105)34-85-73(117)61(37(3)4)98-63(107)38(5)87-69(113)52(28-40-31-83-44-11-8-7-10-43(40)44)97-68(112)49(18-21-56(76)101)94-72(116)54(30-57(77)102)90-59(104)33-84-64(108)51(27-39-13-15-42(99)16-14-39)96-65(109)46(12-9-24-82-74(79)80)92-67(111)48(17-20-55(75)100)93-66(110)47-19-22-58(103)88-47/h7-8,10-11,13-16,31-32,35-38,45-54,61,83,99H,9,12,17-30,33-34H2,1-6H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,108)(H,85,117)(H,87,113)(H,88,103)(H,89,105)(H,90,104)(H,91,114)(H,92,111)(H,93,110)(H,94,116)(H,95,115)(H,96,109)(H,97,112)(H,98,107)(H4,79,80,82)
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n/an/a 1.10n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112626
PNG
(CHEMBL442514 | Carbocyanine derivative)
Show SMILES CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(=O)CC[N+]1=C(C=CC=C\C=C\C=C2\N(CCC(O)=O)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21 |w:87.90,89.92,c:87|
Show InChI InChI=1S/C91H114N18O16S/c1-52(2)42-65(104-83(119)62(92)38-41-126-10)87(123)105-67(44-58-46-94-51-99-58)85(121)97-49-77(115)107-81(53(3)4)89(125)100-54(5)82(118)103-66(43-57-45-95-63-27-21-20-24-59(57)63)88(124)102-64(32-35-73(93)111)84(120)96-47-75(113)101-68(50-110)86(122)98-48-76(114)106-74(112)36-39-108-69-33-30-55-22-16-18-25-60(55)79(69)90(6,7)71(108)28-14-12-11-13-15-29-72-91(8,9)80-61-26-19-17-23-56(61)31-34-70(80)109(72)40-37-78(116)117/h11-31,33-34,45-46,51-54,62,64-68,81,95,110H,32,35-44,47-50,92H2,1-10H3,(H14-,93,94,96,97,98,99,100,101,102,103,104,105,106,107,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125)/p+1
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n/an/a 1.80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112623
PNG
((FITC-Q-W-A-V-G-H-L-M-NH2) | CHEMBL274327)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C64H76N14O14S2/c1-31(2)21-47(59(87)74-45(55(66)83)19-20-94-6)75-60(88)49(24-36-28-67-30-70-36)73-53(82)29-69-61(89)54(32(3)4)78-56(84)33(5)71-58(86)48(22-34-27-68-44-10-8-7-9-39(34)44)76-57(85)46(17-18-52(65)81)77-63(93)72-35-11-14-41-40(23-35)62(90)92-64(41)42-15-12-37(79)25-50(42)91-51-26-38(80)13-16-43(51)64/h7-16,23,25-28,30-33,45-49,54,68,79-80H,17-22,24,29H2,1-6H3,(H2,65,81)(H2,66,83)(H,67,70)(H,69,89)(H,71,86)(H,73,82)(H,74,87)(H,75,88)(H,76,85)(H,78,84)(H2,72,77,93)
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n/an/a 3.20n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112643
PNG
((DTPA-P-Q-R-Y-G-N-Q-W-A-V-G-H-L-M-NH2) | CHEMBL442...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C88H131N27O27S/c1-46(2)31-59(83(138)104-55(76(92)131)23-30-143-6)108-84(139)62(34-51-37-95-45-100-51)102-69(121)39-99-87(142)75(47(3)4)111-77(132)48(5)101-82(137)61(33-50-36-97-54-12-8-7-11-53(50)54)110-81(136)57(19-21-65(89)117)106-85(140)63(35-67(91)119)103-68(120)38-98-78(133)60(32-49-15-17-52(116)18-16-49)109-79(134)56(13-9-24-96-88(93)94)105-80(135)58(20-22-66(90)118)107-86(141)64-14-10-25-115(64)70(122)40-113(42-72(125)126)28-26-112(41-71(123)124)27-29-114(43-73(127)128)44-74(129)130/h7-8,11-12,15-18,36-37,45-48,55-64,75,97,116H,9-10,13-14,19-35,38-44H2,1-6H3,(H2,89,117)(H2,90,118)(H2,91,119)(H2,92,131)(H,95,100)(H,98,133)(H,99,142)(H,101,137)(H,102,121)(H,103,120)(H,104,138)(H,105,135)(H,106,140)(H,107,141)(H,108,139)(H,109,134)(H,110,136)(H,111,132)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,93,94,96)
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n/an/a 4.70n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112640
PNG
((epsilon-DTPA-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL21696...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C63H98N18O19S/c1-35(2)23-45(61(98)74-43(56(66)93)16-22-101-6)76-62(99)47(25-39-27-67-34-71-39)73-49(83)28-70-63(100)55(36(3)4)78-57(94)37(5)72-60(97)46(24-38-26-69-42-13-8-7-11-40(38)42)77-59(96)44(14-15-48(65)82)75-58(95)41(64)12-9-10-17-68-50(84)29-80(31-52(87)88)20-18-79(30-51(85)86)19-21-81(32-53(89)90)33-54(91)92/h7-8,11,13,26-27,34-37,41,43-47,55,69H,9-10,12,14-25,28-33,64H2,1-6H3,(H2,65,82)(H2,66,93)(H,67,71)(H,68,84)(H,70,100)(H,72,97)(H,73,83)(H,74,98)(H,75,95)(H,76,99)(H,77,96)(H,78,94)(H,85,86)(H,87,88)(H,89,90)(H,91,92)
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n/an/a 4.80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112611
PNG
((K-G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMBL405669)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C56H88N18O14S/c1-29(2)19-39(54(86)71-37(48(60)80)16-18-89-6)72-55(87)41(21-33-23-61-28-66-33)69-45(78)26-65-56(88)47(30(3)4)74-49(81)31(5)67-53(85)40(20-32-22-62-36-13-8-7-11-34(32)36)73-52(84)38(14-15-43(59)76)68-44(77)25-64-51(83)42(27-75)70-46(79)24-63-50(82)35(58)12-9-10-17-57/h7-8,11,13,22-23,28-31,35,37-42,47,62,75H,9-10,12,14-21,24-27,57-58H2,1-6H3,(H2,59,76)(H2,60,80)(H,61,66)(H,63,82)(H,64,83)(H,65,88)(H,67,85)(H,68,77)(H,69,78)(H,70,79)(H,71,86)(H,72,87)(H,73,84)(H,74,81)
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n/an/a 4.80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112629
PNG
((epsilon-FITC-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL38528...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C70H88N16O15S2/c1-35(2)25-52(65(96)82-50(60(73)91)22-24-103-6)84-66(97)54(28-40-32-74-34-78-40)81-58(90)33-77-67(98)59(36(3)4)86-61(92)37(5)79-64(95)53(26-38-31-76-49-13-8-7-11-43(38)49)85-63(94)51(20-21-57(72)89)83-62(93)48(71)12-9-10-23-75-69(102)80-39-14-17-45-44(27-39)68(99)101-70(45)46-18-15-41(87)29-55(46)100-56-30-42(88)16-19-47(56)70/h7-8,11,13-19,27,29-32,34-37,48,50-54,59,76,87-88H,9-10,12,20-26,28,33,71H2,1-6H3,(H2,72,89)(H2,73,91)(H,74,78)(H,77,98)(H,79,95)(H,81,90)(H,82,96)(H,83,93)(H,84,97)(H,85,94)(H,86,92)(H2,75,80,102)
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n/an/a 5.70n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112632
PNG
((alpha-FITC-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL428280)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C70H88N16O15S2/c1-35(2)25-52(65(96)81-49(60(73)91)22-24-103-6)83-66(97)54(28-40-32-74-34-77-40)80-58(90)33-76-67(98)59(36(3)4)86-61(92)37(5)78-64(95)53(26-38-31-75-48-12-8-7-11-43(38)48)84-63(94)51(20-21-57(72)89)82-62(93)50(13-9-10-23-71)85-69(102)79-39-14-17-45-44(27-39)68(99)101-70(45)46-18-15-41(87)29-55(46)100-56-30-42(88)16-19-47(56)70/h7-8,11-12,14-19,27,29-32,34-37,49-54,59,75,87-88H,9-10,13,20-26,28,33,71H2,1-6H3,(H2,72,89)(H2,73,91)(H,74,77)(H,76,98)(H,78,95)(H,80,90)(H,81,96)(H,82,93)(H,83,97)(H,84,94)(H,86,92)(H2,79,85,102)
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n/an/a 5.80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346924
PNG
(CHEMBL1795684)
Show SMILES C[C@@H](NC(=O)c1ccc(C)c(c1)-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(N)=O |r|
Show InChI InChI=1S/C22H19ClF2N4O4/c1-11-3-4-13(20(31)28-12(2)19(26)30)7-17(11)29-10-27-21(18(23)22(29)32)33-9-14-5-6-15(24)8-16(14)25/h3-8,10,12H,9H2,1-2H3,(H2,26,30)(H,28,31)/t12-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112619
PNG
((G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMBL408739)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CN)C(C)C)C(N)=O
Show InChI InChI=1S/C50H76N16O13S/c1-25(2)15-34(48(77)63-32(43(53)72)13-14-80-6)64-49(78)36(17-29-20-54-24-58-29)61-41(71)22-57-50(79)42(26(3)4)66-44(73)27(5)59-47(76)35(16-28-19-55-31-10-8-7-9-30(28)31)65-46(75)33(11-12-38(52)68)60-40(70)21-56-45(74)37(23-67)62-39(69)18-51/h7-10,19-20,24-27,32-37,42,55,67H,11-18,21-23,51H2,1-6H3,(H2,52,68)(H2,53,72)(H,54,58)(H,56,74)(H,57,79)(H,59,76)(H,60,70)(H,61,71)(H,62,69)(H,63,77)(H,64,78)(H,65,75)(H,66,73)
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n/an/a 7.60n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112633
PNG
((FITC-G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMBL385928)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C71H87N17O18S2/c1-34(2)21-50(66(101)85-48(61(73)96)19-20-108-6)86-67(102)52(24-39-28-74-33-79-39)83-58(94)30-77-68(103)60(35(3)4)88-62(97)36(5)80-65(100)51(22-37-27-75-47-10-8-7-9-42(37)47)87-64(99)49(17-18-56(72)92)82-57(93)29-76-63(98)53(32-89)84-59(95)31-78-70(107)81-38-11-14-44-43(23-38)69(104)106-71(44)45-15-12-40(90)25-54(45)105-55-26-41(91)13-16-46(55)71/h7-16,23,25-28,33-36,48-53,60,75,89-91H,17-22,24,29-32H2,1-6H3,(H2,72,92)(H2,73,96)(H,74,79)(H,76,98)(H,77,103)(H,80,100)(H,82,93)(H,83,94)(H,84,95)(H,85,101)(H,86,102)(H,87,99)(H,88,97)(H2,78,81,107)
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n/an/a 9.20n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112635
PNG
((alpha,epsilon-(-FITC)2-K-Q-W-A-V-G-H-L-M-NH2) | C...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C91H99N17O20S3/c1-44(2)31-68(83(120)103-65(78(93)115)28-30-131-6)105-84(121)70(35-50-41-94-43-98-50)102-76(114)42-97-85(122)77(45(3)4)108-79(116)46(5)99-82(119)69(32-47-40-96-64-12-8-7-11-55(47)64)106-81(118)67(26-27-75(92)113)104-80(117)66(107-89(130)101-49-15-21-59-57(34-49)87(124)128-91(59)62-24-18-53(111)38-73(62)126-74-39-54(112)19-25-63(74)91)13-9-10-29-95-88(129)100-48-14-20-58-56(33-48)86(123)127-90(58)60-22-16-51(109)36-71(60)125-72-37-52(110)17-23-61(72)90/h7-8,11-12,14-25,33-34,36-41,43-46,65-70,77,96,109-112H,9-10,13,26-32,35,42H2,1-6H3,(H2,92,113)(H2,93,115)(H,94,98)(H,97,122)(H,99,119)(H,102,114)(H,103,120)(H,104,117)(H,105,121)(H,106,118)(H,108,116)(H2,95,100,129)(H2,101,107,130)
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n/an/a 9.5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112620
PNG
((epsilon-FITC-K-G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMB...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(N)CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C77H99N19O19S2/c1-38(2)25-55(72(110)93-53(66(80)104)22-24-117-6)94-73(111)57(28-43-32-81-37-87-43)91-63(102)35-86-74(112)65(39(3)4)96-67(105)40(5)88-71(109)56(26-41-31-83-52-13-8-7-11-46(41)52)95-70(108)54(20-21-61(79)100)90-62(101)34-85-69(107)58(36-97)92-64(103)33-84-68(106)51(78)12-9-10-23-82-76(116)89-42-14-17-48-47(27-42)75(113)115-77(48)49-18-15-44(98)29-59(49)114-60-30-45(99)16-19-50(60)77/h7-8,11,13-19,27,29-32,37-40,51,53-58,65,83,97-99H,9-10,12,20-26,28,33-36,78H2,1-6H3,(H2,79,100)(H2,80,104)(H,81,87)(H,84,106)(H,85,107)(H,86,112)(H,88,109)(H,90,101)(H,91,102)(H,92,103)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H2,82,89,116)
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n/an/a 9.60n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112625
PNG
((K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL269310)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C49H77N15O10S/c1-26(2)19-36(47(72)60-34(42(53)67)16-18-75-6)62-48(73)38(21-30-23-54-25-57-30)59-40(66)24-56-49(74)41(27(3)4)64-43(68)28(5)58-46(71)37(20-29-22-55-33-13-8-7-11-31(29)33)63-45(70)35(14-15-39(52)65)61-44(69)32(51)12-9-10-17-50/h7-8,11,13,22-23,25-28,32,34-38,41,55H,9-10,12,14-21,24,50-51H2,1-6H3,(H2,52,65)(H2,53,67)(H,54,57)(H,56,74)(H,58,71)(H,59,66)(H,60,72)(H,61,69)(H,62,73)(H,63,70)(H,64,68)
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n/an/a 10.5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346920
PNG
(CHEMBL1795686)
Show SMILES CCc1c(OCc2ccc(F)cc2F)ncn(-c2cc(ccc2C)C(=O)NCCO)c1=O
Show InChI InChI=1S/C23H23F2N3O4/c1-3-18-22(32-12-16-6-7-17(24)11-19(16)25)27-13-28(23(18)31)20-10-15(5-4-14(20)2)21(30)26-8-9-29/h4-7,10-11,13,29H,3,8-9,12H2,1-2H3,(H,26,30)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346923
PNG
(CHEMBL1795683)
Show SMILES C[C@H](CO)CNC(=O)c1ccc(C)c(c1)-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O |r|
Show InChI InChI=1S/C23H22ClF2N3O4/c1-13(10-30)9-27-21(31)15-4-3-14(2)19(7-15)29-12-28-22(20(24)23(29)32)33-11-16-5-6-17(25)8-18(16)26/h3-8,12-13,30H,9-11H2,1-2H3,(H,27,31)/t13-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gastrin-Releasing peptide


(RAT)
BDBM50112627
PNG
((alpha-FITC-epsilon-DOTA-K-Q-W-A-V-G-H-L-M-NH2) | ...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C86H114N20O22S2/c1-47(2)33-64(81(123)97-61(76(88)118)22-32-130-6)99-82(124)66(36-52-40-89-46-93-52)96-70(110)41-92-83(125)75(48(3)4)102-77(119)49(5)94-80(122)65(34-50-39-91-60-12-8-7-11-55(50)60)100-79(121)63(20-21-69(87)109)98-78(120)62(13-9-10-23-90-71(111)42-103-24-26-104(43-72(112)113)28-30-106(45-74(116)117)31-29-105(27-25-103)44-73(114)115)101-85(129)95-51-14-17-57-56(35-51)84(126)128-86(57)58-18-15-53(107)37-67(58)127-68-38-54(108)16-19-59(68)86/h7-8,11-12,14-19,35,37-40,46-49,61-66,75,91,107-108H,9-10,13,20-34,36,41-45H2,1-6H3,(H2,87,109)(H2,88,118)(H,89,93)(H,90,111)(H,92,125)(H,94,122)(H,96,110)(H,97,123)(H,98,120)(H,99,124)(H,100,121)(H,102,119)(H,112,113)(H,114,115)(H,116,117)(H2,95,101,129)
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n/an/a 15n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112646
PNG
((alpha-FITC-K-G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMBL4...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCN)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C77H99N19O19S2/c1-38(2)25-55(72(110)92-52(66(80)104)22-24-117-6)93-73(111)57(28-43-32-81-37-86-43)90-63(102)35-85-74(112)65(39(3)4)96-67(105)40(5)87-71(109)56(26-41-31-82-51-12-8-7-11-46(41)51)94-70(108)54(20-21-61(79)100)89-62(101)33-84-69(107)58(36-97)91-64(103)34-83-68(106)53(13-9-10-23-78)95-76(116)88-42-14-17-48-47(27-42)75(113)115-77(48)49-18-15-44(98)29-59(49)114-60-30-45(99)16-19-50(60)77/h7-8,11-12,14-19,27,29-32,37-40,52-58,65,82,97-99H,9-10,13,20-26,28,33-36,78H2,1-6H3,(H2,79,100)(H2,80,104)(H,81,86)(H,83,106)(H,84,107)(H,85,112)(H,87,109)(H,89,101)(H,90,102)(H,91,103)(H,92,110)(H,93,111)(H,94,108)(H,96,105)(H2,88,95,116)
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n/an/a 15.6n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase in human monocytes


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase in human monocytes


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gastrin-Releasing peptide


(RAT)
BDBM50112614
PNG
((alpha-FITC-epsilon-DTPA-K-Q-W-A-V-G-H-L-M-NH2) | ...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21C=C(CC(C)=O)Oc2cc(O)ccc12)C(C)C)C(N)=O |t:113|
Show InChI InChI=1S/C83H111N19O24S2/c1-44(2)28-61(78(121)94-58(73(85)116)21-27-128-7)96-79(122)63(32-50-36-86-43-90-50)93-66(106)37-89-80(123)72(45(3)4)99-74(117)47(6)91-77(120)62(30-48-35-88-57-13-9-8-12-53(48)57)97-76(119)60(19-20-65(84)105)95-75(118)59(14-10-11-22-87-67(107)38-101(40-69(110)111)25-23-100(39-68(108)109)24-26-102(41-70(112)113)42-71(114)115)98-82(127)92-49-15-17-55-54(31-49)81(124)126-83(55)34-52(29-46(5)103)125-64-33-51(104)16-18-56(64)83/h8-9,12-13,15-18,31,33-36,43-45,47,58-63,72,88,104H,10-11,14,19-30,32,37-42H2,1-7H3,(H2,84,105)(H2,85,116)(H,86,90)(H,87,107)(H,89,123)(H,91,120)(H,93,106)(H,94,121)(H,95,118)(H,96,122)(H,97,119)(H,99,117)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H2,92,98,127)
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n/an/a 20n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112616
PNG
((alpha,epsilon-(FITC)2-K-G-S-G-Q-W-A-V-G-H-L-M-NH2...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C98H110N20O24S3/c1-47(2)31-71(90(134)114-68(84(100)128)28-30-145-6)115-91(135)73(35-53-41-101-46-107-53)112-81(126)44-106-92(136)83(48(3)4)118-85(129)49(5)108-89(133)72(32-50-40-103-67-12-8-7-11-58(50)67)116-88(132)70(26-27-79(99)124)111-80(125)42-105-87(131)74(45-119)113-82(127)43-104-86(130)69(117-96(144)110-52-15-21-62-60(34-52)94(138)142-98(62)65-24-18-56(122)38-77(65)140-78-39-57(123)19-25-66(78)98)13-9-10-29-102-95(143)109-51-14-20-61-59(33-51)93(137)141-97(61)63-22-16-54(120)36-75(63)139-76-37-55(121)17-23-64(76)97/h7-8,11-12,14-25,33-34,36-41,46-49,68-74,83,103,119-123H,9-10,13,26-32,35,42-45H2,1-6H3,(H2,99,124)(H2,100,128)(H,101,107)(H,104,130)(H,105,131)(H,106,136)(H,108,133)(H,111,125)(H,112,126)(H,113,127)(H,114,134)(H,115,135)(H,116,132)(H,118,129)(H2,102,109,143)(H2,110,117,144)
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n/an/a 20.5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346922
PNG
(CHEMBL1795682)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NC[C@@H](O)CO |r|
Show InChI InChI=1S/C22H20ClF2N3O5/c1-12-2-3-13(20(31)26-8-16(30)9-29)6-18(12)28-11-27-21(19(23)22(28)32)33-10-14-4-5-15(24)7-17(14)25/h2-7,11,16,29-30H,8-10H2,1H3,(H,26,31)/t16-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112642
PNG
((Q-W-A-V-G-H-L-M-NH2) | CHEMBL300318)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCC(N)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C43H65N13O9S/c1-22(2)15-31(41(63)53-30(37(46)59)13-14-66-6)55-42(64)33(17-26-19-47-21-50-26)52-35(58)20-49-43(65)36(23(3)4)56-38(60)24(5)51-40(62)32(54-39(61)28(44)11-12-34(45)57)16-25-18-48-29-10-8-7-9-27(25)29/h7-10,18-19,21-24,28,30-33,36,48H,11-17,20,44H2,1-6H3,(H2,45,57)(H2,46,59)(H,47,50)(H,49,65)(H,51,62)(H,52,58)(H,53,63)(H,54,61)(H,55,64)(H,56,60)
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n/an/a 28.3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346921
PNG
(CHEMBL1795681)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C21H17ClF2N4O4/c1-11-2-3-12(19(30)26-8-17(25)29)6-16(11)28-10-27-20(18(22)21(28)31)32-9-13-4-5-14(23)7-15(13)24/h2-7,10H,8-9H2,1H3,(H2,25,29)(H,26,30)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346919
PNG
(CHEMBL1795685)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(C)c1=O)C(=O)NCCO
Show InChI InChI=1S/C22H21F2N3O4/c1-13-3-4-15(20(29)25-7-8-28)9-19(13)27-12-26-21(14(2)22(27)30)31-11-16-5-6-17(23)10-18(16)24/h3-6,9-10,12,28H,7-8,11H2,1-2H3,(H,25,29)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346925
PNG
(CHEMBL1795687)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Br)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18BrF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346926
PNG
(CHEMBL1795688)
Show SMILES Cc1ccc(cc1-n1cnc(SCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O3S/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112630
PNG
((alpha,epsilon-(DTPA)2-K-Q-W-A-V-G-H-L-M-NH2) | CH...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C77H119N21O28S/c1-44(2)27-54(75(124)88-51(70(79)119)16-26-127-6)90-76(125)56(29-48-31-80-43-84-48)87-58(100)32-83-77(126)69(45(3)4)92-71(120)46(5)85-74(123)55(28-47-30-82-50-12-8-7-11-49(47)50)91-73(122)53(14-15-57(78)99)89-72(121)52(86-60(102)34-96(38-64(109)110)23-19-94(36-62(105)106)21-25-98(41-67(115)116)42-68(117)118)13-9-10-17-81-59(101)33-95(37-63(107)108)22-18-93(35-61(103)104)20-24-97(39-65(111)112)40-66(113)114/h7-8,11-12,30-31,43-46,51-56,69,82H,9-10,13-29,32-42H2,1-6H3,(H2,78,99)(H2,79,119)(H,80,84)(H,81,101)(H,83,126)(H,85,123)(H,86,102)(H,87,100)(H,88,124)(H,89,121)(H,90,125)(H,91,122)(H,92,120)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)
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n/an/a 240n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a 249n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112621
PNG
((alpha-DTPA-epsilon-FITC-K-Q-W-A-V-G-H-L-M-NH2) | ...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C84H109N19O24S2/c1-44(2)29-61(79(122)96-58(74(86)117)22-28-129-6)98-80(123)63(32-49-36-87-43-91-49)95-67(107)37-90-81(124)73(45(3)4)100-75(118)46(5)92-78(121)62(30-47-35-89-57-12-8-7-11-52(47)57)99-77(120)60(20-21-66(85)106)97-76(119)59(94-68(108)38-102(40-70(111)112)26-24-101(39-69(109)110)25-27-103(41-71(113)114)42-72(115)116)13-9-10-23-88-83(128)93-48-14-17-54-53(31-48)82(125)127-84(54)55-18-15-50(104)33-64(55)126-65-34-51(105)16-19-56(65)84/h7-8,11-12,14-19,31,33-36,43-46,58-63,73,89,104-105H,9-10,13,20-30,32,37-42H2,1-6H3,(H2,85,106)(H2,86,117)(H,87,91)(H,90,124)(H,92,121)(H,94,108)(H,95,107)(H,96,122)(H,97,119)(H,98,123)(H,99,120)(H,100,118)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H2,88,93,128)
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Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM50112622
PNG
((alpha-DTPA-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL440609)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C63H98N18O19S/c1-35(2)23-45(61(98)74-42(56(66)93)16-22-101-6)76-62(99)47(25-39-27-67-34-70-39)73-49(83)28-69-63(100)55(36(3)4)78-57(94)37(5)71-60(97)46(24-38-26-68-41-12-8-7-11-40(38)41)77-59(96)44(14-15-48(65)82)75-58(95)43(13-9-10-17-64)72-50(84)29-80(31-52(87)88)20-18-79(30-51(85)86)19-21-81(32-53(89)90)33-54(91)92/h7-8,11-12,26-27,34-37,42-47,55,68H,9-10,13-25,28-33,64H2,1-6H3,(H2,65,82)(H2,66,93)(H,67,70)(H,69,100)(H,71,97)(H,72,84)(H,73,83)(H,74,98)(H,75,95)(H,76,99)(H,77,96)(H,78,94)(H,85,86)(H,87,88)(H,89,90)(H,91,92)
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Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J


J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of IKK1


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK II


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK6


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
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