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Compile Data Set for Download or QSAR

Found 330 hits with Last Name = 'luo' and Initial = 'q'   
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
Serine protease 1


(Bos taurus (bovine))
BDBM50124947
PNG
(CHEMBL453539)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin type-3 using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured over 60 mins


J Med Chem 60: 504-510 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50124947
PNG
(CHEMBL453539)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
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1n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using N-t-Boc Gln-Ala-Arg-AMC as substrate preincubated with enzyme followed by substrate addition by Dixon plot an...


J Med Chem 60: 504-510 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50124947
PNG
(CHEMBL453539)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plo...


J Med Chem 60: 504-510 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50233907
PNG
(CHEMBL4102547)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r|
Show InChI InChI=1S/C88H141N23O21S2/c1-8-49(5)68-81(126)103-60-46-133-134-47-61(77(122)106-70(51(7)114)82(127)97-54(26-14-16-34-90)72(117)100-58(44-112)75(120)105-69(50(6)9-2)87(132)111-40-22-32-66(111)86(131)109-38-20-30-64(109)80(125)104-68)102-73(118)56(41-48(3)4)99-79(124)63-29-19-36-107(63)84(129)59(45-113)101-74(119)57(42-52-23-11-10-12-24-52)95-67(115)43-94-78(123)62-28-18-37-108(62)85(130)65-31-21-39-110(65)83(128)55(27-17-35-93-88(91)92)98-71(116)53(96-76(60)121)25-13-15-33-89/h10-12,23-24,48-51,53-66,68-70,112-114H,8-9,13-22,25-47,89-90H2,1-7H3,(H,94,123)(H,95,115)(H,96,121)(H,97,127)(H,98,116)(H,99,124)(H,100,117)(H,101,119)(H,102,118)(H,103,126)(H,104,125)(H,105,120)(H,106,122)(H4,91,92,93)/t49-,50-,51+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,68-,69-,70-/m0/s1
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PubMed
5.10n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plo...


J Med Chem 60: 504-510 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50124947
PNG
(CHEMBL453539)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
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13n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin


J Med Chem 60: 504-510 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS
More data for this
Ligand-Target Pair
Salicylate synthetase, Irp9


(Yersinia enterocolitica)
BDBM50030314
PNG
(CHEMBL3343825)
Show SMILES COC(=O)Oc1c(cc2oc(=O)sc2c1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C9H4N2O9S/c1-18-8(12)20-6-3(10(14)15)2-4-7(5(6)11(16)17)21-9(13)19-4/h2H,1H3
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800n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate


Bioorg Med Chem 22: 5961-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.010
BindingDB Entry DOI: 10.7270/Q2PC340D
More data for this
Ligand-Target Pair
Bifunctional chorismate mutase/prephenate dehydratase


(Escherichia coli (strain K12))
BDBM96194
PNG
(5-[(2-carboxyphenyl)sulfamoyl]-2-hydroxy-benzoic a...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C14H11NO7S/c16-12-6-5-8(7-10(12)14(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,(H,17,18)(H,19,20)
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3.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate


Bioorg Med Chem 22: 5961-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.010
BindingDB Entry DOI: 10.7270/Q2PC340D
More data for this
Ligand-Target Pair
Bifunctional chorismate mutase/prephenate dehydratase


(Escherichia coli (strain K12))
BDBM50030314
PNG
(CHEMBL3343825)
Show SMILES COC(=O)Oc1c(cc2oc(=O)sc2c1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C9H4N2O9S/c1-18-8(12)20-6-3(10(14)15)2-4-7(5(6)11(16)17)21-9(13)19-4/h2H,1H3
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PubMed
4.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate


Bioorg Med Chem 22: 5961-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.010
BindingDB Entry DOI: 10.7270/Q2PC340D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570745
PNG
(US11440886, Example 81 | US11440886, Example 87)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OC1CCS(=O)(=O)C1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 1.15n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570694
PNG
(US11440886, Example 41)
Show SMILES COc1ccc(cc1OCC1CC1)C(\Cn1c(C)cc(=O)cc1C)=N\OCSC
PDB

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antibodypedia
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n/an/a 1.22n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570762
PNG
(US11440886, Example 100 | US11440886, Example 96)
Show SMILES Cc1cc(=O)cc(C)n1\C=C\c1ccc(OC(F)F)c(OC2CCSC2)c1
PDB

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antibodypedia
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US Patent
n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570783
PNG
(US11440886, Example 114)
Show SMILES CC#C\C(=C/n1c(C)cc(=O)cc1C)c1ccc(OC(F)F)c(OCC2CC2)c1
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antibodypedia
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570762
PNG
(US11440886, Example 100 | US11440886, Example 96)
Show SMILES Cc1cc(=O)cc(C)n1\C=C\c1ccc(OC(F)F)c(OC2CCSC2)c1
PDB

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antibodypedia
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UniChem
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570775
PNG
(US11440886, Example 106)
Show SMILES COc1ccc(cc1OCC1CC1)C(=C\n1c(C)cc(=O)cc1C)\C#N
PDB

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antibodypedia
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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570754
PNG
(US11440886, Example 88)
Show SMILES Cc1cc(=O)cc(C)n1\C=C\c1ccc(OC(F)F)c(OCC2CC2)c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC sid
UniChem
US Patent
n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570708
PNG
(US11440886, Example 49)
Show SMILES Cc1cc(=O)cc(C)n1CC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570774
PNG
(US11440886, Example 105)
Show SMILES COc1ccc(cc1OCC1CC1)C(=C\n1c(C)cc(=O)cc1C)\C#CC
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570763
PNG
(US11440886, Example 97)
Show SMILES Cc1cc(=O)cc(C)n1\C=C\c1ccc(OC(F)F)c(O[C@H]2CCSC2)c1 |r|
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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570744
PNG
(US11440886, Example 80 | US11440886, Example 85)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OC1CCSC1
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4626
PNG
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 3.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using biotinylated-PTP1B (Tyr66) as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Eur J Med Chem 61: 84-94 (2013)


Article DOI: 10.1016/j.ejmech.2012.07.036
BindingDB Entry DOI: 10.7270/Q2X068CH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570756
PNG
(US11440886, Example 90)
Show SMILES CSCOc1cc(\C=C\n2c(C)cc(=O)cc2C)ccc1OC(F)F
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570652
PNG
(US11440886, Example 18)
Show SMILES CCCCCCOc1cc(ccc1OC)C(=O)Cn1c(C)cc(=O)cc1C
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570655
PNG
(US11440886, Example 21)
Show SMILES COc1ccc(cc1OC1CCC1)C(=O)Cn1c(C)cc(=O)cc1C
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570653
PNG
(US11440886, Example 19)
Show SMILES COc1ccc(cc1OC1CC1)C(=O)Cn1c(C)cc(=O)cc1C
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570696
PNG
(US11440886, Example 43)
Show SMILES COc1ccc(cc1OCC1CC1)C(\Cn1c(C)cc(=O)cc1C)=N\OCS(C)=O
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570646
PNG
(US11440886, Example 13)
Show SMILES CCCOc1cc(ccc1OC)C(=O)Cn1c(C)cc(=O)cc1C
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570657
PNG
(US11440886, Example 23)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Cn1c(C)cc(=O)cc1C
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570639
PNG
(US11440886, Example 5)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cn1c(C)cc(=O)cc1C)OC(=O)c1ccccc1
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570722
PNG
(US11440886, Example 59)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OCC1CC1
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570721
PNG
(US11440886, Example 58)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OC1CC1
PDB

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The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570641
PNG
(US11440886, Example 7)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-[#6]-1-[#6]-[#6]-1)-[#6](-[#6]-n1c(-[#6])cc(=O)cc1-[#6])-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570725
PNG
(US11440886, Example 61)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OC1CCC1
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570693
PNG
(US11440886, Example 40)
Show SMILES CO\N=C(\Cn1c(C)cc(=O)cc1C)c1ccc(OC)c(OCC2CC2)c1
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570755
PNG
(US11440886, Example 89)
Show SMILES COc1cc(\C=C\n2c(C)cc(=O)cc2C)ccc1OC(F)F
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570744
PNG
(US11440886, Example 80 | US11440886, Example 85)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OC1CCSC1
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570706
PNG
(US11440886, Example 47)
Show SMILES COc1ccc(cc1OCC1CC1)C(=O)Cn1ccc(=O)cc1Cl
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570746
PNG
(US11440886, Example 82)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1O[C@H]1CCSC1 |r|
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570734
PNG
(US11440886, Example 70)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OC1CCCO1
PDB

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n/an/a 8.10n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570695
PNG
(US11440886, Example 42)
Show SMILES COc1ccc(cc1OCC1CC1)C(\Cn1c(C)cc(=O)cc1C)=N/OCSC
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4626
PNG
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)
PDB
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n/an/a 9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


Eur J Med Chem 61: 84-94 (2013)


Article DOI: 10.1016/j.ejmech.2012.07.036
BindingDB Entry DOI: 10.7270/Q2X068CH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570784
PNG
(US11440886, Example 115)
Show SMILES COc1ccc(cc1OC)C(=C\n1c(C)cc(=O)cc1C)\C#N
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570726
PNG
(US11440886, Example 62)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OC1CCCC1
PDB

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n/an/a 10.2n/an/an/an/an/an/a


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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570649
PNG
(US11440886, Example 16)
Show SMILES COc1ccc(cc1OCC(C)C)C(=O)Cn1c(C)cc(=O)cc1C
PDB

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n/an/a 10.3n/an/an/an/an/an/a


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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570727
PNG
(US11440886, Example 63)
Show SMILES COc1ccc(\C=C\n2c(C)cc(=O)cc2C)cc1OC1CC=CC1 |c:24|
PDB

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n/an/a 11.1n/an/an/an/an/an/a


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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570659
PNG
(US11440886, Example 25)
Show SMILES COc1ccc(cc1OC1CC=CC1)C(=O)Cn1c(C)cc(=O)cc1C |c:12|
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50428416
PNG
(CHEMBL2334002)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN
Show InChI InChI=1S/C19H21ClFN5O2/c1-27-17-10-16-13(9-18(17)28-7-6-23-5-4-22)19(25-11-24-16)26-12-2-3-15(21)14(20)8-12/h2-3,8-11,23H,4-7,22H2,1H3,(H,24,25,26)
PDB
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n/an/a 12n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using biotinylated-PTP1B (Tyr66) as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Eur J Med Chem 61: 84-94 (2013)


Article DOI: 10.1016/j.ejmech.2012.07.036
BindingDB Entry DOI: 10.7270/Q2X068CH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570765
PNG
(US11440886, Example 101-2 | US11440886, Example 98...)
Show SMILES Cc1cc(=O)cc(C)n1\C=C\c1ccc(OC(F)F)c(O[C@H]2CC[S@@+]([O-])C2)c1 |r|
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570759
PNG
(US11440886, Example 93)
Show SMILES CSCCOc1cc(\C=C\n2c(C)cc(=O)cc2C)ccc1OC(F)F
PDB

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Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570654
PNG
(US11440886, Example 20)
Show SMILES COc1ccc(cc1OCC1CC1)C(=O)Cn1c(C)cc(=O)cc1C
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM570667
PNG
(US11440886, Example 32)
Show SMILES COc1ccc(cc1OCSC)C(=O)Cn1c(C)cc(=O)cc1C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.9n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5′-adenosine monophosphate (5′-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TM7FBS
More data for this
Ligand-Target Pair
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