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Compile Data Set for Download or QSAR

Found 151 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XIII'   
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
Coagulation factor XIII


(Homo sapiens)
BDBM50033766
PNG
(CHEMBL3358149)
Show InChI InChI=1S/C207H289N51O56S6/c1-14-104(9)169(253-163(268)93-221-175(281)128(57-63-157(210)262)230-190(296)140(83-113-91-217-100-223-113)243-188(294)138(81-111-89-219-123-40-23-21-36-117(111)123)241-182(288)132(61-67-164(269)270)231-177(283)126(43-26-28-70-209)229-196(302)149(98-319)251-201(307)152-46-31-72-255(152)202(308)143(78-103(7)8)245-186(292)135(77-102(5)6)238-178(284)125(42-25-27-69-208)228-174(280)120-39-20-19-38-119(120)168-121-55-53-115(260)84-155(121)314-156-85-116(261)54-56-122(156)168)204(310)257-74-33-48-154(257)200(306)246-144(86-161(214)266)203(309)256-73-30-45-151(256)198(304)234-127(44-29-71-218-207(215)216)179(285)249-148(97-318)197(303)242-139(82-112-90-220-124-41-24-22-37-118(112)124)189(295)247-145(94-315)176(282)222-92-162(267)224-106(11)171(277)237-141(87-166(273)274)192(298)239-134(76-101(3)4)185(291)233-133(62-68-165(271)272)183(289)248-146(95-316)194(300)225-107(12)172(278)227-129(58-64-158(211)263)180(286)244-142(88-167(275)276)191(297)232-130(59-65-159(212)264)181(287)240-136(80-110-49-51-114(259)52-50-110)187(293)250-147(96-317)195(301)226-108(13)173(279)236-137(79-109-34-17-16-18-35-109)193(299)254-170(105(10)15-2)205(311)258-75-32-47-153(258)199(305)235-131(60-66-160(213)265)184(290)252-150(99-320)206(312)313/h16-24,34-41,49-56,84-85,89-91,100-108,125-154,169-170,219-220,259-260,315-320H,14-15,25-33,42-48,57-83,86-88,92-99,208-209H2,1-13H3,(H2,210,262)(H2,211,263)(H2,212,264)(H2,213,265)(H2,214,266)(H,217,223)(H,221,281)(H,222,282)(H,224,267)(H,225,300)(H,226,301)(H,227,278)(H,228,280)(H,229,302)(H,230,296)(H,231,283)(H,232,297)(H,233,291)(H,234,304)(H,235,305)(H,236,279)(H,237,277)(H,238,284)(H,239,298)(H,240,287)(H,241,288)(H,242,303)(H,243,294)(H,244,286)(H,245,292)(H,246,306)(H,247,295)(H,248,289)(H,249,285)(H,250,293)(H,251,307)(H,252,290)(H,253,268)(H,254,299)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,312,313)(H4,215,216,218)/t104-,105-,106-,107-,108-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,169-,170-/m0/s1
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n/an/an/a<100n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to recombinant F13A (unknown origin) by microscale thermophoresis method


J Med Chem 57: 10355-65 (2014)


Article DOI: 10.1021/jm501058g
BindingDB Entry DOI: 10.7270/Q2PV6MZQ
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50033803
PNG
(CHEMBL3358150)
Show InChI InChI=1S/C179H267N45O48S/c1-14-96(11)144(217-157(252)119(82-93(5)6)207-150(245)110(60-64-137(231)232)197-159(254)126(91-225)215-148(243)108(42-26-71-193-177(186)187)199-161(256)128-46-30-76-221(128)171(266)115(43-27-72-194-178(188)189)202-146(241)104-38-20-19-37-103(104)142-105-57-55-101(227)86-133(105)272-134-87-102(228)56-58-106(134)142)167(262)205-114(40-22-24-69-181)170(265)220-75-31-47-129(220)162(257)200-112(67-80-273-13)152(247)208-122(89-140(237)238)156(251)209-123(90-141(239)240)158(253)218-145(97(12)15-2)168(263)212-120(84-99-51-53-100(226)54-52-99)154(249)196-109(59-63-135(182)229)149(244)203-116(44-28-73-195-179(190)191)172(267)222-77-34-50-132(222)165(260)216-143(95(9)10)166(261)201-111(61-65-138(233)234)151(246)214-125(85-98-35-17-16-18-36-98)174(269)224-79-33-49-131(224)164(259)211-121(88-136(183)230)155(250)213-124(83-94(7)8)173(268)223-78-32-48-130(223)163(258)210-118(81-92(3)4)153(248)204-113(39-21-23-68-180)169(264)219-74-29-45-127(219)160(255)198-107(41-25-70-192-176(184)185)147(242)206-117(175(270)271)62-66-139(235)236/h16-20,35-38,51-58,86-87,92-97,107-132,143-145,225-227H,14-15,21-34,39-50,59-85,88-91,180-181H2,1-13H3,(H2,182,229)(H2,183,230)(H,196,249)(H,197,254)(H,198,255)(H,199,256)(H,200,257)(H,201,261)(H,202,241)(H,203,244)(H,204,248)(H,205,262)(H,206,242)(H,207,245)(H,208,247)(H,209,251)(H,210,258)(H,211,259)(H,212,263)(H,213,250)(H,214,246)(H,215,243)(H,216,260)(H,217,252)(H,218,253)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,270,271)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t96-,97-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-/m0/s1
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n/an/an/a 800n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to recombinant F13A (unknown origin) by microscale thermophoresis method


J Med Chem 57: 10355-65 (2014)


Article DOI: 10.1021/jm501058g
BindingDB Entry DOI: 10.7270/Q2PV6MZQ
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185182
PNG
([2-[[2-[4-[[5-(Dimethylamino)-1-naphthyl]sulfonyl]...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C[S+](C)C
Show InChI InChI=1S/C22H30N4O4S2/c1-24(2)19-9-5-8-18-17(19)7-6-10-20(18)32(29,30)26-13-11-25(12-14-26)22(28)15-23-21(27)16-31(3)4/h5-10H,11-16H2,1-4H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185173
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H29N3O3/c1-2-17(24)21-13-18(25)22-3-5-23(6-4-22)19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h2,14-16H,1,3-13H2,(H,21,24)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185155
PNG
([2-[[2-(4-Benzyloxycarbonylpiperazin-1-yl)-2-oxo-e...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H25N3O4S/c1-26(2)14-16(22)19-12-17(23)20-8-10-21(11-9-20)18(24)25-13-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185161
PNG
(Dimethyl-[2-[[2-[4-(2-naphthylmethoxycarbonyl)pipe...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O4S/c1-30(2)16-20(26)23-14-21(27)24-9-11-25(12-10-24)22(28)29-15-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13H,9-12,14-16H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185162
PNG
(2-Naphthylmethyl 4-[2-(prop-2-enoylamino)acetyl]pi...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H23N3O4/c1-2-19(25)22-14-20(26)23-9-11-24(12-10-23)21(27)28-15-16-7-8-17-5-3-4-6-18(17)13-16/h2-8,13H,1,9-12,14-15H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185163
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-[(2-brom...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CBr)ccc2c1
Show InChI InChI=1S/C22H24BrN3O6/c1-31-21(29)18-5-4-16-10-15(2-3-17(16)11-18)14-32-22(30)26-8-6-25(7-9-26)20(28)13-24-19(27)12-23/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM60581
PNG
([2-[[2-[4-[(6-Methoxycarbonyl-2-naphthyl)methoxyca...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C=C)ccc2c1
Show InChI InChI=1S/C23H25N3O6/c1-3-20(27)24-14-21(28)25-8-10-26(11-9-25)23(30)32-15-16-4-5-18-13-19(22(29)31-2)7-6-17(18)12-16/h3-7,12-13H,1,8-11,14-15H2,2H3,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185164
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-(prop-2-...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C[S+](C)C)ccc2c1
Show InChI InChI=1S/C24H29N3O6S/c1-32-23(30)20-7-6-18-12-17(4-5-19(18)13-20)15-33-24(31)27-10-8-26(9-11-27)22(29)14-25-21(28)16-34(2)3/h4-7,12-13H,8-11,14-16H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185168
PNG
([2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbony...)
Show SMILES COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1
Show InChI InChI=1S/C20H27N3O6S/c1-28-19(26)16-6-4-15(5-7-16)13-29-20(27)23-10-8-22(9-11-23)18(25)12-21-17(24)14-30(2)3/h4-7H,8-14H2,1-3H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185170
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H28BrN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185172
PNG
([2-[[2-[4-(Adamantane-1-carbonyl)piperazin-1-yl]-2...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H33N3O3S/c1-28(2)14-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,3-14H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185183
PNG
(2-(1-Adamantyl)ethyl 4-[2-[(2-bromoacetyl)amino]ac...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H32BrN3O4/c22-13-18(26)23-14-19(27)24-2-4-25(5-3-24)20(28)29-6-1-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,1-14H2,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185176
PNG
([2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H35N3O4S/c1-30(2)14-19(26)23-13-20(27)24-3-5-25(6-4-24)21(28)29-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,3-15H2,1-2H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185177
PNG
(1-Adamantylmethyl 4-[2-(prop-2-enoylamino)acetyl]p...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H31N3O4/c1-2-18(25)22-13-19(26)23-3-5-24(6-4-23)20(27)28-14-21-10-15-7-16(11-21)9-17(8-15)12-21/h2,15-17H,1,3-14H2,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185179
PNG
(2-(1-Adamantyl)ethyl 4-[2-(prop-2-enoylamino)acety...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H33N3O4/c1-2-19(26)23-15-20(27)24-4-6-25(7-5-24)21(28)29-8-3-22-12-16-9-17(13-22)11-18(10-16)14-22/h2,16-18H,1,3-15H2,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII A (FXIIIa)


(Homo sapiens (Human))
BDBM185180
PNG
([2-[[2-(4-tert-Butoxycarbonylpiperazin-1-yl)-2-oxo...)
Show SMILES C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H27N3O4S/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)13(20)10-16-12(19)11-23(4)5/h6-11H2,1-5H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Chem Biol 22: 1347-61 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.013
BindingDB Entry DOI: 10.7270/Q2222SJC
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50033763
PNG
(CHEMBL3358147)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C159H257N45O44S/c1-14-86(11)125(197-137(229)103(74-83(5)6)187-130(222)95(52-56-119(209)210)178-139(231)110(81-205)195-128(220)93(39-25-64-175-158(169)170)180-140(232)111-41-27-66-199(111)149(241)91(162)35-23-62-173-156(165)166)147(239)185-99(37-20-22-61-161)151(243)201-68-29-43-113(201)142(234)181-97(59-72-249-13)132(224)188-106(79-122(215)216)136(228)189-107(80-123(217)218)138(230)198-126(87(12)15-2)148(240)192-104(76-89-47-49-90(206)50-48-89)134(226)177-94(51-55-117(163)207)129(221)183-100(40-26-65-176-159(171)172)152(244)202-69-32-46-116(202)145(237)196-124(85(9)10)146(238)182-96(53-57-120(211)212)131(223)194-109(77-88-33-17-16-18-34-88)154(246)204-71-31-45-115(204)144(236)191-105(78-118(164)208)135(227)193-108(75-84(7)8)153(245)203-70-30-44-114(203)143(235)190-102(73-82(3)4)133(225)184-98(36-19-21-60-160)150(242)200-67-28-42-112(200)141(233)179-92(38-24-63-174-157(167)168)127(219)186-101(155(247)248)54-58-121(213)214/h16-18,33-34,47-50,82-87,91-116,124-126,205-206H,14-15,19-32,35-46,51-81,160-162H2,1-13H3,(H2,163,207)(H2,164,208)(H,177,226)(H,178,231)(H,179,233)(H,180,232)(H,181,234)(H,182,238)(H,183,221)(H,184,225)(H,185,239)(H,186,219)(H,187,222)(H,188,224)(H,189,228)(H,190,235)(H,191,236)(H,192,240)(H,193,227)(H,194,223)(H,195,220)(H,196,237)(H,197,229)(H,198,230)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,247,248)(H4,165,166,173)(H4,167,168,174)(H4,169,170,175)(H4,171,172,176)/t86-,87-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,124-,125-,126-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant F13a (unknown origin) using H-Tyr-Glu(pNA)-Val-Lys-Val-Ile-Gly-NH2 as substrate by chromogenic assay


J Med Chem 57: 10355-65 (2014)


Article DOI: 10.1021/jm501058g
BindingDB Entry DOI: 10.7270/Q2PV6MZQ
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50033764
PNG
(CHEMBL3358146)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C120H188N28O35S/c1-14-65(11)96(143-106(169)77(52-61(3)4)134-100(163)72(39-42-91(153)154)128-98(161)70(122)60-149)113(176)133-75(28-19-20-45-121)115(178)145-47-22-30-85(145)108(171)130-74(44-51-184-13)102(165)135-80(58-93(157)158)105(168)136-81(59-94(159)160)107(170)144-97(66(12)15-2)114(177)138-78(55-68-34-36-69(150)37-35-68)103(166)129-71(38-41-89(123)151)99(162)132-76(29-21-46-127-120(125)126)116(179)146-48-25-33-88(146)111(174)142-95(64(9)10)112(175)131-73(40-43-92(155)156)101(164)140-83(56-67-26-17-16-18-27-67)118(181)148-50-23-31-86(148)109(172)137-79(57-90(124)152)104(167)139-82(53-62(5)6)117(180)147-49-24-32-87(147)110(173)141-84(119(182)183)54-63(7)8/h16-18,26-27,34-37,61-66,70-88,95-97,149-150H,14-15,19-25,28-33,38-60,121-122H2,1-13H3,(H2,123,151)(H2,124,152)(H,128,161)(H,129,166)(H,130,171)(H,131,175)(H,132,162)(H,133,176)(H,134,163)(H,135,165)(H,136,168)(H,137,172)(H,138,177)(H,139,167)(H,140,164)(H,141,173)(H,142,174)(H,143,169)(H,144,170)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,182,183)(H4,125,126,127)/t65-,66-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-,96-,97-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant F13a (unknown origin) using H-Tyr-Glu(pNA)-Val-Lys-Val-Ile-Gly-NH2 as substrate by chromogenic assay


J Med Chem 57: 10355-65 (2014)


Article DOI: 10.1021/jm501058g
BindingDB Entry DOI: 10.7270/Q2PV6MZQ
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50033765
PNG
(CHEMBL3358145)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C190H302N52O51S2/c1-17-102(12)149(233-164(270)123(88-99(6)7)222-156(262)114(64-69-143(248)249)210-167(273)131(96-243)230-154(260)111(48-31-76-206-188(199)200)212-170(276)134-52-35-81-238(134)182(288)120(50-33-78-208-190(203)204)218-168(274)132(97-294)231-158(264)113(63-68-141(195)246)213-172(278)138-56-40-85-242(138)185(291)151(104(14)19-3)235-165(271)125(221-152(258)105(15)193)90-106-41-22-20-23-42-106)177(283)219-118(46-27-29-74-192)180(286)237-80-36-53-135(237)171(277)214-116(72-86-295-16)159(265)223-127(94-146(254)255)163(269)224-128(95-147(256)257)166(272)234-150(103(13)18-2)178(284)227-124(91-108-58-60-109(244)61-59-108)161(267)209-112(62-67-140(194)245)155(261)216-119(49-32-77-207-189(201)202)181(287)239-82-39-57-139(239)175(281)232-148(101(10)11)176(282)215-115(65-70-144(250)251)157(263)229-130(92-107-43-24-21-25-44-107)184(290)241-84-38-55-137(241)174(280)226-126(93-142(196)247)162(268)228-129(89-100(8)9)183(289)240-83-37-54-136(240)173(279)225-122(87-98(4)5)160(266)217-117(45-26-28-73-191)179(285)236-79-34-51-133(236)169(275)211-110(47-30-75-205-187(197)198)153(259)220-121(186(292)293)66-71-145(252)253/h20-25,41-44,58-61,98-105,110-139,148-151,243-244,294H,17-19,26-40,45-57,62-97,191-193H2,1-16H3,(H2,194,245)(H2,195,246)(H2,196,247)(H,209,267)(H,210,273)(H,211,275)(H,212,276)(H,213,278)(H,214,277)(H,215,282)(H,216,261)(H,217,266)(H,218,274)(H,219,283)(H,220,259)(H,221,258)(H,222,262)(H,223,265)(H,224,269)(H,225,279)(H,226,280)(H,227,284)(H,228,268)(H,229,263)(H,230,260)(H,231,264)(H,232,281)(H,233,270)(H,234,272)(H,235,271)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,292,293)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)(H4,203,204,208)/t102-,103-,104-,105-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-,150-,151-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant F13a (unknown origin) using H-Tyr-Glu(pNA)-Val-Lys-Val-Ile-Gly-NH2 as substrate by chromogenic assay


J Med Chem 57: 10355-65 (2014)


Article DOI: 10.1021/jm501058g
BindingDB Entry DOI: 10.7270/Q2PV6MZQ
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164217
PNG
(CHEMBL192660 | N*1*-Imidazo[1,2-d][1,2,4]thiadiazo...)
Show SMILES NCCCCCCNc1nsc2nccn12
Show InChI InChI=1S/C10H17N5S/c11-5-3-1-2-4-6-12-9-14-16-10-13-7-8-15(9)10/h7-8H,1-6,11H2,(H,12,14)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164215
PNG
(2-Nitro-N-[6-(3-nitro-pyridin-2-ylamino)-hexyl]-be...)
Show SMILES [O-][N+](=O)c1cccnc1NCCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H21N5O6S/c23-21(24)14-8-3-4-10-16(14)29(27,28)20-13-6-2-1-5-11-18-17-15(22(25)26)9-7-12-19-17/h3-4,7-10,12,20H,1-2,5-6,11,13H2,(H,18,19)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164218
PNG
(CHEMBL192770 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)NCCCCCCNc1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C16H20N6O4S2/c23-22(24)13-6-5-7-14(12-13)28(25,26)19-9-4-2-1-3-8-17-15-20-27-16-18-10-11-21(15)16/h5-7,10-12,19H,1-4,8-9H2,(H,17,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164219
PNG
(CHEMBL190568 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES O=S(=O)(NCCCCCCNc1nsc2nccn12)c1ccccc1
Show InChI InChI=1S/C16H21N5O2S2/c22-25(23,14-8-4-3-5-9-14)19-11-7-2-1-6-10-17-15-20-24-16-18-12-13-21(15)16/h3-5,8-9,12-13,19H,1-2,6-7,10-11H2,(H,17,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164220
PNG
(CHEMBL192376 | N-Hexyl-2-nitro-benzenesulfonamide)
Show SMILES CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C12H18N2O4S/c1-2-3-4-7-10-13-19(17,18)12-9-6-5-8-11(12)14(15)16/h5-6,8-9,13H,2-4,7,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164221
PNG
(CHEMBL189379 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCCNc1nsc2nccn12
Show InChI InChI=1S/C17H23N5O2S2/c1-14-6-8-15(9-7-14)26(23,24)20-11-5-3-2-4-10-18-16-21-25-17-19-12-13-22(16)17/h6-9,12-13,20H,2-5,10-11H2,1H3,(H,18,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164222
PNG
(CHEMBL193212 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNc1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C16H20N6O4S2/c23-22(24)13-7-3-4-8-14(13)28(25,26)19-10-6-2-1-5-9-17-15-20-27-16-18-11-12-21(15)16/h3-4,7-8,11-12,19H,1-2,5-6,9-10H2,(H,17,20)
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n/an/a 130n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164224
PNG
(CHEMBL192921 | {Imidazo[1,2-d][1,2,4]thiadiazol-3-...)
Show SMILES OC(=O)CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C18H22N6O6S2/c25-16(26)13-22(17-21-31-18-19-10-12-23(17)18)11-6-2-1-5-9-20-32(29,30)15-8-4-3-7-14(15)24(27)28/h3-4,7-8,10,12,20H,1-2,5-6,9,11,13H2,(H,25,26)
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n/an/a 620n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164223
PNG
(2-{Imidazo[1,2-d][1,2,4]thiadiazol-3-yl-[6-(2-nitr...)
Show SMILES NC(=O)CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C18H23N7O5S2/c19-16(26)13-23(17-22-31-18-20-10-12-24(17)18)11-6-2-1-5-9-21-32(29,30)15-8-4-3-7-14(15)25(27)28/h3-4,7-8,10,12,21H,1-2,5-6,9,11,13H2,(H2,19,26)
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n/an/a 420n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164225
PNG
(CHEMBL365470 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES Cc1ccccc1S(=O)(=O)NCCCCCCNc1nsc2nccn12
Show InChI InChI=1S/C17H23N5O2S2/c1-14-8-4-5-9-15(14)26(23,24)20-11-7-3-2-6-10-18-16-21-25-17-19-12-13-22(16)17/h4-5,8-9,12-13,20H,2-3,6-7,10-11H2,1H3,(H,18,21)
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n/an/a 700n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164216
PNG
(CHEMBL190022 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C17H22N6O4S2/c1-21(16-20-28-17-18-11-13-22(16)17)12-7-3-2-6-10-19-29(26,27)15-9-5-4-8-14(15)23(24)25/h4-5,8-9,11,13,19H,2-3,6-7,10,12H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164226
PNG
(CHEMBL193724 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCCCCCCNc1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C16H20N6O4S2/c23-22(24)13-5-7-14(8-6-13)28(25,26)19-10-4-2-1-3-9-17-15-20-27-16-18-11-12-21(15)16/h5-8,11-12,19H,1-4,9-10H2,(H,17,20)
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n/an/a 910n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50164227
PNG
(5-Methyl-2-(2-oxo-propylsulfanyl)-thiazolo[2,3-b][...)
Show SMILES CC(=O)CSc1n[n+]2c(C)csc2s1
Show InChI InChI=1S/C8H9N2OS3/c1-5-3-13-8-10(5)9-7(14-8)12-4-6(2)11/h3H,4H2,1-2H3/q+1
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n/an/a 100n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


J Med Chem 48: 2266-9 (2005)


Article DOI: 10.1021/jm049221w
BindingDB Entry DOI: 10.7270/Q2R210XM
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083717
PNG
(CHEMBL3423203)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
Show InChI InChI=1S/C23H18FN3O5/c24-14-3-1-13(2-4-14)22(29)26-15-5-9-17(10-6-15)31-18-11-7-16(8-12-18)27-23(30)20-19(32-20)21(25)28/h1-12,19-20H,(H2,25,28)(H,26,29)(H,27,30)/t19-,20+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083718
PNG
(CHEMBL3423202)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C16H15N3O4/c17-9-1-5-11(6-2-9)22-12-7-3-10(4-8-12)19-16(21)14-13(23-14)15(18)20/h1-8,13-14H,17H2,(H2,18,20)(H,19,21)/t13-,14+/m1/s1
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n/an/a 86n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083719
PNG
(CHEMBL3423201)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6/c17-15(20)13-14(25-13)16(21)18-9-1-5-11(6-2-9)24-12-7-3-10(4-8-12)19(22)23/h1-8,13-14H,(H2,17,20)(H,18,21)/t13-,14+/m1/s1
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n/an/a 430n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083720
PNG
(CHEMBL3423200)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H18N4O7S/c19-17(23)15-16(29-15)18(24)21-12-7-5-11(6-8-12)9-10-20-30(27,28)14-4-2-1-3-13(14)22(25)26/h1-8,15-16,20H,9-10H2,(H2,19,23)(H,21,24)/t15-,16+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083721
PNG
(CHEMBL3423199)
Show SMILES Cc1ccc(NC(=O)[C@H]2O[C@H]2C(N)=O)cc1C
Show InChI InChI=1S/C12H14N2O3/c1-6-3-4-8(5-7(6)2)14-12(16)10-9(17-10)11(13)15/h3-5,9-10H,1-2H3,(H2,13,15)(H,14,16)/t9-,10+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083722
PNG
(CHEMBL3423198)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1
Show InChI InChI=1S/C10H8BrClN2O3/c11-5-2-1-4(3-6(5)12)14-10(16)8-7(17-8)9(13)15/h1-3,7-8H,(H2,13,15)(H,14,16)/t7-,8+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083723
PNG
(CHEMBL3423197)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C10H9BrN2O3/c11-5-1-3-6(4-2-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083724
PNG
(CHEMBL3423196)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccccc1
Show InChI InChI=1S/C10H10N2O3/c11-9(13)7-8(15-7)10(14)12-6-4-2-1-3-5-6/h1-5,7-8H,(H2,11,13)(H,12,14)/t7-,8+/m1/s1
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n/an/a 720n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083725
PNG
(CHEMBL3423195)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H14N2O4/c17-15(19)13-14(22-13)16(20)18-10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9,13-14H,(H2,17,19)(H,18,20)/t13-,14+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083726
PNG
(CHEMBL3423194)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C10H9ClN2O3/c11-5-2-1-3-6(4-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/m0/s1
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n/an/a 48n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083728
PNG
(CHEMBL3423193)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H14N2O4/c17-15(19)13-14(22-13)16(20)18-10-6-8-12(9-7-10)21-11-4-2-1-3-5-11/h1-9,13-14H,(H2,17,19)(H,18,20)/t13-,14+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50083759
PNG
(CHEMBL3423192)
Show SMILES CCCCc1ccc(NC(=O)[C@@H]2O[C@@H]2C(N)=O)cc1
Show InChI InChI=1S/C14H18N2O3/c1-2-3-4-9-5-7-10(8-6-9)16-14(18)12-11(19-12)13(15)17/h5-8,11-12H,2-4H2,1H3,(H2,15,17)(H,16,18)/t11-,12+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50009248
PNG
((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...)
Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O
Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50009248
PNG
((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...)
Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O
Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of F13-A in human plasma assessed as inhibition of fibrin clot formation by biotin incorporation assay in presence of 1 mM reduced GSH


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII


(Homo sapiens)
BDBM50392881
PNG
(CHEMBL2152090)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-12-14-25(15-13-19)31(28,29)20-10-8-18(9-11-20)24-22(27)30-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
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Article
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n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human factor-13A


ACS Med Chem Lett 3: 731-735 (2012)


Article DOI: 10.1021/ml3001352
BindingDB Entry DOI: 10.7270/Q2Q241B7
More data for this
Ligand-Target Pair
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