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Compile Data Set for Download or QSAR

Found 2005 hits with Last Name = 'kwon' and Initial = 'd'   
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
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50246899
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Yonsei University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin)


Bioorg Med Chem Lett 28: 572-576 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.047
BindingDB Entry DOI: 10.7270/Q2RN3BGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50288943
PNG
(CHEMBL154519 | Quinoline-2-carboxylic acid {(R)-1-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C38H51N5O6S/c1-38(2,3)42-37(47)33-21-27-15-8-9-16-28(27)22-43(33)23-34(44)31(20-25-12-6-5-7-13-25)40-36(46)32(24-50(4,48)49)41-35(45)30-19-18-26-14-10-11-17-29(26)39-30/h5-7,10-14,17-19,27-28,31-34,44H,8-9,15-16,20-24H2,1-4H3,(H,40,46)(H,41,45)(H,42,47)/t27-,28+,31-,32-,33-,34+/m0/s1
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0.113n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50454862
PNG
(CHEMBL4211875)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S(O)(=O)=O |r,c:9|
Show InChI InChI=1S/C74H96N10O30S4/c1-6-83-53-29-24-44-46(38-42(115(103,104)105)40-55(44)117(109,110)111)64(53)73(2,3)57(83)20-9-7-10-21-58-74(4,5)65-47-39-43(116(106,107)108)41-56(118(112,113)114)45(47)25-30-54(65)84(58)37-16-8-11-22-59(85)76-36-17-23-61(87)78-48(66(92)77-35-15-13-19-50(68(95)96)80-72(102)82-52(70(99)100)28-33-63(90)91)26-31-60(86)75-34-14-12-18-49(67(93)94)79-71(101)81-51(69(97)98)27-32-62(88)89/h7,9-10,20-21,24-25,29-30,38-41,48-52H,6,8,11-19,22-23,26-28,31-37H2,1-5H3,(H17-,75,76,77,78,79,80,81,82,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114)/t48-,49-,50-,51-,52-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Yonsei University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell lysates incubated for 2 hrs in presence of N-acetylaspartylglutamate by Amplex red glutamic acid/glutamate oxi...


Bioorg Med Chem Lett 28: 572-576 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.047
BindingDB Entry DOI: 10.7270/Q2RN3BGJ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50288941
PNG
((3S,4aS,8aS)-2-((2R,3S)-2-Hydroxy-3-{(R)-2-[2-(5-h...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1nccc2c(O)cccc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C41H57N5O7S/c1-40(2,3)45-38(50)33-22-27-15-10-11-16-28(27)24-46(33)25-35(48)32(21-26-13-8-7-9-14-26)43-39(51)37(41(4,5)54(6,52)53)44-36(49)23-31-29-17-12-18-34(47)30(29)19-20-42-31/h7-9,12-14,17-20,27-28,32-33,35,37,47-48H,10-11,15-16,21-25H2,1-6H3,(H,43,51)(H,44,49)(H,45,50)/t27-,28+,32-,33-,35+,37+/m0/s1
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0.151n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50288942
PNG
(CHEMBL154692 | {(R)-1-[(1S,2R)-1-Benzyl-3-((3S,4aS...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C38H56N4O7S/c1-37(2,3)41-34(44)31-22-28-19-13-14-20-29(28)23-42(31)24-32(43)30(21-26-15-9-7-10-16-26)39-35(45)33(38(4,5)50(6,47)48)40-36(46)49-25-27-17-11-8-12-18-27/h7-12,15-18,28-33,43H,13-14,19-25H2,1-6H3,(H,39,45)(H,40,46)(H,41,44)/t28-,29+,30-,31-,32+,33+/m0/s1
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0.162n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50288939
PNG
(CHEMBL345187 | Quinoline-2-carboxylic acid {(R)-1-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C40H55N5O6S/c1-39(2,3)44-37(48)33-23-28-17-10-11-18-29(28)24-45(33)25-34(46)32(22-26-14-8-7-9-15-26)42-38(49)35(40(4,5)52(6,50)51)43-36(47)31-21-20-27-16-12-13-19-30(27)41-31/h7-9,12-16,19-21,28-29,32-35,46H,10-11,17-18,22-25H2,1-6H3,(H,42,49)(H,43,47)(H,44,48)/t28-,29+,32-,33-,34+,35+/m0/s1
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0.172n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50454861
PNG
(CHEMBL4206989)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCN(CC(=O)Nc3ccc(cc3)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)CC(=O)Nc3ccc(cc3)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S(O)(=O)=O |r,c:9|
Show InChI InChI=1S/C86H104N12O31S4/c1-6-97-64-35-31-56-58(44-54(130(118,119)120)46-66(56)132(124,125)126)75(64)85(2,3)68(97)20-9-7-10-21-69-86(4,5)76-59-45-55(131(121,122)123)47-67(133(127,128)129)57(59)32-36-65(76)98(69)43-16-8-11-22-70(99)87-41-17-42-96(48-71(100)90-52-27-23-50(24-28-52)77(106)88-39-14-12-18-60(79(108)109)92-83(116)94-62(81(112)113)33-37-73(102)103)49-72(101)91-53-29-25-51(26-30-53)78(107)89-40-15-13-19-61(80(110)111)93-84(117)95-63(82(114)115)34-38-74(104)105/h7,9-10,20-21,23-32,35-36,44-47,60-63H,6,8,11-19,22,33-34,37-43,48-49H2,1-5H3,(H18-,87,88,89,90,91,92,93,94,95,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129)/t60-,61-,62-,63-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Yonsei University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell lysates incubated for 2 hrs in presence of N-acetylaspartylglutamate by Amplex red glutamic acid/glutamate oxi...


Bioorg Med Chem Lett 28: 572-576 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.047
BindingDB Entry DOI: 10.7270/Q2RN3BGJ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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0.452n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM9294
PNG
((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C39H53N5O4/c1-25(2)35(42-36(46)31-20-19-27-15-11-12-18-30(27)40-31)38(48)41-32(21-26-13-7-6-8-14-26)34(45)24-44-23-29-17-10-9-16-28(29)22-33(44)37(47)43-39(3,4)5/h6-8,11-15,18-20,25,28-29,32-35,45H,9-10,16-17,21-24H2,1-5H3,(H,41,48)(H,42,46)(H,43,47)/t28-,29+,32-,33-,34+,35-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50454860
PNG
(CHEMBL4202635)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S(O)(=O)=O |r,c:9|
Show InChI InChI=1S/C57H70N6O21S4/c1-6-62-42-24-21-36-38(30-34(85(73,74)75)32-44(36)87(79,80)81)51(42)56(2,3)46(62)17-9-7-10-18-47-57(4,5)52-39-31-35(86(76,77)78)33-45(88(82,83)84)37(39)22-25-43(52)63(47)29-14-8-11-19-48(64)59-28-15-20-49(65)58-27-13-12-16-40(53(68)69)60-55(72)61-41(54(70)71)23-26-50(66)67/h7,9-10,17-18,21-22,24-25,30-33,40-41H,6,8,11-16,19-20,23,26-29H2,1-5H3,(H10-,58,59,60,61,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84)/t40-,41-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Yonsei University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell lysates incubated for 2 hrs in presence of N-acetylaspartylglutamate by Amplex red glutamic acid/glutamate oxi...


Bioorg Med Chem Lett 28: 572-576 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.047
BindingDB Entry DOI: 10.7270/Q2RN3BGJ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50288940
PNG
(CHEMBL154416 | Quinoline-2-carboxylic acid {(R)-1-...)
Show SMILES CSC(C)(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C40H55N5O4S/c1-39(2,3)44-37(48)33-23-28-17-10-11-18-29(28)24-45(33)25-34(46)32(22-26-14-8-7-9-15-26)42-38(49)35(40(4,5)50-6)43-36(47)31-21-20-27-16-12-13-19-30(27)41-31/h7-9,12-16,19-21,28-29,32-35,46H,10-11,17-18,22-25H2,1-6H3,(H,42,49)(H,43,47)(H,44,48)/t28-,29+,32-,33-,34+,35+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50321104
PNG
(CHEMBL1163804 | DFGYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C37H49N7O13/c1-19(2)31(36(55)40-20(3)32(51)42-25(37(56)57)13-14-29(47)48)44-35(54)27(16-22-9-11-23(45)12-10-22)41-28(46)18-39-34(53)26(15-21-7-5-4-6-8-21)43-33(52)24(38)17-30(49)50/h4-12,19-20,24-27,31,45H,13-18,38H2,1-3H3,(H,39,53)(H,40,55)(H,41,46)(H,42,51)(H,43,52)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t20-,24-,25-,26-,27-,31-/m0/s1
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51n/an/an/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Competitive inhibition of HMG-CoA reductase by Dixon plot analysis


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50321100
PNG
(CHEMBL1164546 | GF(4-fluro)PTGG)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CN)C(=O)NCC(=O)NCC(O)=O |r|
Show InChI InChI=1S/C24H33FN6O8/c1-13(32)21(23(38)28-11-19(34)27-12-20(35)36)30-22(37)17-3-2-8-31(17)24(39)16(29-18(33)10-26)9-14-4-6-15(25)7-5-14/h4-7,13,16-17,21,32H,2-3,8-12,26H2,1H3,(H,27,34)(H,28,38)(H,29,33)(H,30,37)(H,35,36)/t13-,16+,17+,21+/m1/s1
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260n/an/an/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Competitive inhibition of HMG-CoA reductase by Dixon plot analysis


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604240
PNG
(Preparation of (2R,4S)—N—((S)-1-((4-((Z)—N′-...)
Show SMILES CC(C)[C@H](N)C(=O)O\N=C(/N)c1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2C[C@H](CCN2)c2ccccc2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604241
PNG
(Preparation of (2R,4S)-2-(((S)-1-((4-carbamimidoyl...)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CC[N+]1(C)C)c1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604242
PNG
(Preparation of ethyl 3-((2R,4S)-2-(((S)-1-((4-carb...)
Show SMILES CCOC(=O)CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604243
PNG
(Preparation of 3-((2R,4S)-2-(((S)-1-((4-carbamimid...)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1CCC(O)=O)c1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604244
PNG
(US11661418, Compound I-15)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1CCP(O)(O)=O)c1ccccc1)C(=O)NCc1cc2cnccc2[nH]1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604245
PNG
(US11661418, Compound I-16)
Show SMILES CN1CC[C@@H](C[C@@H]1C(=O)N1CC[C@H]1C(=O)NCc1ccc(N)nc1C)c1ccccc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604246
PNG
(Preparation of (S)—N-(4-carbamimidoylbenzyl)-1-((2...)
Show SMILES CN1CC[C@@H](C[C@@H]1C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604249
PNG
(Preparation of (2R,4S)—N—((S)-1-((4-carbamimidoylb...)
Show SMILES CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604250
PNG
(Preparation of (2R,4S)-4-(3-(1H-pyrazol-1-yl)pheny...)
Show SMILES CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1cccc(c1)-n1cccn1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM604251
PNG
(Preparation of (2R,4S)—N—((S)-1-(((5-((Z)—N-hydrox...)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1)c1ccccc1)C(=O)NCc1ccc(s1)C(\N)=N\O |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2P2733R
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595044
PNG
(US11584714, Compound 1072)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1cccc(C)c1C)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595045
PNG
(US11584714, Compound 1073)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1cc(C)cc(C)c1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595045
PNG
(US11584714, Compound 1073)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1cc(C)cc(C)c1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595045
PNG
(US11584714, Compound 1073)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1cc(C)cc(C)c1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595046
PNG
(US11584714, Compound 1074)
Show SMILES COc1ccccc1CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595046
PNG
(US11584714, Compound 1074)
Show SMILES COc1ccccc1CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595046
PNG
(US11584714, Compound 1074)
Show SMILES COc1ccccc1CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N |r|
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Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595047
PNG
(US11584714, Compound 1075)
Show SMILES COc1cccc(CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595047
PNG
(US11584714, Compound 1075)
Show SMILES COc1cccc(CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|
PDB
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595047
PNG
(US11584714, Compound 1075)
Show SMILES COc1cccc(CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|
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<500n/an/an/an/an/an/an/an/a


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Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595048
PNG
(US11584714, Compound 1076)
Show SMILES COc1ccc(CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc2ccc(cc2)C(N)=N)cc1 |r|
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595048
PNG
(US11584714, Compound 1076)
Show SMILES COc1ccc(CC[C@@H](N)C(=O)N[C@@H](C)C(=O)NCc2ccc(cc2)C(N)=N)cc1 |r|
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<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595049
PNG
(US11584714, Compound 1077)
Show SMILES CC(=O)N[C@H](C1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595050
PNG
(US11584714, Compound 1078)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1)c1ccccc1)C(=O)NCc1cc(Cl)ccc1O |r|
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595051
PNG
(US11584714, Compound 1079)
Show SMILES N[C@H](CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O |r|
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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595052
PNG
(US11584714, Compound 1080)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1ccc(Cl)cc1)C(=O)NCc1ccc(cc1)C(N)=N |r|
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<500n/an/an/an/an/an/an/an/a


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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595052
PNG
(US11584714, Compound 1080)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1ccc(Cl)cc1)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB
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<500n/an/an/an/an/an/an/an/a


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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595052
PNG
(US11584714, Compound 1080)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1ccc(Cl)cc1)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

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<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Mouse)
BDBM595053
PNG
(US11584714, Compound 1081)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1cccc(Cl)c1)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB
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<500n/an/an/an/an/an/an/an/a


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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595053
PNG
(US11584714, Compound 1081)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1cccc(Cl)c1)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

UniProtKB/SwissProt

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<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595054
PNG
(US11584714, Compound 1082)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1ccccc1Cl)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

UniProtKB/SwissProt

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<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595054
PNG
(US11584714, Compound 1082)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1ccccc1Cl)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

UniProtKB/SwissProt

antibodypedia
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<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595055
PNG
(US11584714, Compound 1083)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCC2)cc1 |r|
PDB

UniProtKB/SwissProt

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<500n/an/an/an/an/an/an/an/a


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Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595055
PNG
(US11584714, Compound 1083)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCC2)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM595056
PNG
(US11584714, Compound 1084)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1ccc(F)cc1F)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595056
PNG
(US11584714, Compound 1084)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1ccc(F)cc1F)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
thrombin


(Homo sapiens (Human))
BDBM595057
PNG
(US11584714, Compound 1085)
Show SMILES C[C@H](NC(=O)[C@H](N)CCc1ccc(F)c(F)c1)C(=O)NCc1ccc(cc1)C(N)=N |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5SRT
More data for this
Ligand-Target Pair
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