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Compile Data Set for Download or QSAR

Found 1261 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor V'   
Target
(Institution)
LigandTarget
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 VII


(Homo sapiens (human))
BDBM50119057
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C110H151N29O31S3/c1-8-57(6)91-107(167)132-77(50-89(150)151)100(160)123-68(25-16-40-118-109(114)115)94(154)130-75(47-63-51-120-67-24-15-14-23-66(63)67)99(159)129-73(45-60-28-31-64(140)32-29-60)98(158)135-79(103(163)124-71(34-36-82(111)141)95(155)128-74(44-59-19-10-9-11-20-59)102(162)136-90(56(4)5)106(166)126-70(35-39-87(146)147)93(153)121-52-84(113)143)53-171-172-54-80(134-97(157)72(43-55(2)3)127-92(152)58(7)122-85(144)37-38-86(145)138-173(169,170)65-33-30-61-21-12-13-22-62(61)46-65)104(164)131-76(49-88(148)149)101(161)133-78(48-83(112)142)108(168)139-42-18-27-81(139)105(165)125-69(96(156)137-91)26-17-41-119-110(116)117/h9-15,19-24,28-33,46,51,55-58,68-81,90-91,120,140H,8,16-18,25-27,34-45,47-50,52-54H2,1-7H3,(H2,111,141)(H2,112,142)(H2,113,143)(H,121,153)(H,122,144)(H,123,160)(H,124,163)(H,125,165)(H,126,166)(H,127,152)(H,128,155)(H,129,159)(H,130,154)(H,131,164)(H,132,167)(H,133,161)(H,134,157)(H,135,158)(H,136,162)(H,137,156)(H,138,145)(H,146,147)(H,148,149)(H,150,151)(H4,114,115,118)(H4,116,117,119)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,90-,91+/m0/s1
PDB
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n/an/a 1n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119052
PNG
(Biotinylated E-76 peptide analogue | CHEMBL269354)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc(o1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C107H145N29O31S2/c1-8-54(6)87-104(163)129-72(47-85(145)146)96(155)120-63(24-16-38-115-106(111)112)90(149)127-70(44-58-48-117-62-23-14-12-21-60(58)62)95(154)126-68(43-57-28-30-59(137)31-29-57)94(153)132-74(99(158)121-66(32-36-80(108)138)91(150)125-69(42-56-19-10-9-11-20-56)98(157)133-86(53(4)5)103(162)123-65(33-37-83(141)142)89(148)118-49-82(110)140)50-168-169-51-75(131-93(152)67(41-52(2)3)124-88(147)55(7)119-102(161)79-35-34-78(167-79)61-22-13-15-26-76(61)136(165)166)100(159)128-71(46-84(143)144)97(156)130-73(45-81(109)139)105(164)135-40-18-27-77(135)101(160)122-64(92(151)134-87)25-17-39-116-107(113)114/h9-15,19-23,26,28-31,34-35,48,52-55,63-75,77,86-87,117H,8,16-18,24-25,27,32-33,36-47,49-51H2,1-7H3,(H35,108,109,110,111,112,113,114,115,116,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163)/t54-,55-,63+,64-,65-,66-,67-,68+,69-,70-,71+,72-,73-,74+,75+,77+,86-,87+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119050
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O
Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1
PDB
MMDB

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n/an/a 1.10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119049
PNG
(Biotinylated E-76 peptide analogue | CHEMBL439285)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NCc1cccc2ccccc12
Show InChI InChI=1S/C107H148N28O27S2/c1-8-56(6)88-104(161)129-76(48-86(144)145)97(154)120-67(28-17-39-115-106(111)112)91(148)127-74(45-62-50-118-66-27-15-14-26-65(62)66)96(153)126-72(44-59-31-33-63(136)34-32-59)95(152)132-78(100(157)121-70(35-37-81(108)137)92(149)125-73(43-58-20-10-9-11-21-58)99(156)133-87(55(4)5)103(160)123-69(36-38-84(140)141)90(147)119-51-83(110)139)52-163-164-53-79(131-94(151)71(42-54(2)3)124-89(146)57(7)117-49-61-24-16-23-60-22-12-13-25-64(60)61)101(158)128-75(47-85(142)143)98(155)130-77(46-82(109)138)105(162)135-41-19-30-80(135)102(159)122-68(93(150)134-88)29-18-40-116-107(113)114/h9-16,20-27,31-34,50,54-57,67-80,87-88,117-118,136H,8,17-19,28-30,35-49,51-53H2,1-7H3,(H2,108,137)(H2,109,138)(H2,110,139)(H,119,147)(H,120,154)(H,121,157)(H,122,159)(H,123,160)(H,124,146)(H,125,149)(H,126,153)(H,127,148)(H,128,158)(H,129,161)(H,130,155)(H,131,151)(H,132,152)(H,133,156)(H,134,150)(H,140,141)(H,142,143)(H,144,145)(H4,111,112,115)(H4,113,114,116)/t56-,57-,67+,68-,69-,70-,71-,72+,73-,74-,75+,76-,77-,78+,79+,80+,87-,88+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 1.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50167837
PNG
(3-Amino-N-((R)-sec-butyl)-5-{1-[(4-carbamimidoyl-b...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H36N8O3/c1-5-17(4)35-27(38)21-10-20(11-22(29)12-21)23-14-33-26(34-16(2)3)28(39)36(23)15-24(37)32-13-18-6-8-19(9-7-18)25(30)31/h6-12,14,16-17H,5,13,15,29H2,1-4H3,(H3,30,31)(H,32,37)(H,33,34)(H,35,38)/t17-/m1/s1
PDB
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119048
PNG
(Biotinylated E-76 peptide analogue | CHEMBL437872)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C104H147N29O28S2/c1-9-54(7)84-100(159)127-72(46-82(142)143)93(152)118-63(25-16-36-112-102(108)109)87(146)125-70(43-58-47-114-62-24-14-13-23-61(58)62)92(151)124-68(42-57-28-30-60(134)31-29-57)91(150)130-74(96(155)119-66(32-34-77(105)135)88(147)123-69(41-56-20-11-10-12-21-56)95(154)131-83(52(4)5)99(158)121-65(33-35-80(138)139)86(145)115-48-79(107)137)49-162-163-50-75(129-90(149)67(39-51(2)3)122-85(144)55(8)116-104(161)117-59-22-15-19-53(6)40-59)97(156)126-71(45-81(140)141)94(153)128-73(44-78(106)136)101(160)133-38-18-27-76(133)98(157)120-64(89(148)132-84)26-17-37-113-103(110)111/h10-15,19-24,28-31,40,47,51-52,54-55,63-76,83-84,114,134H,9,16-18,25-27,32-39,41-46,48-50H2,1-8H3,(H2,105,135)(H2,106,136)(H2,107,137)(H,115,145)(H,118,152)(H,119,155)(H,120,157)(H,121,158)(H,122,144)(H,123,147)(H,124,151)(H,125,146)(H,126,156)(H,127,159)(H,128,153)(H,129,149)(H,130,150)(H,131,154)(H,132,148)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,112)(H4,110,111,113)(H2,116,117,161)/t54-,55-,63+,64-,65-,66-,67-,68+,69-,70-,71+,72-,73-,74+,75+,76+,83-,84+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 1.80n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50127212
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C112H157N28O32PS2/c1-8-60(6)93-109(167)134-80(53-91(150)151)102(160)125-71(28-19-42-120-111(116)117)96(154)132-78(50-66-54-122-70-27-17-16-26-69(66)70)101(159)131-76(48-63-32-35-67(141)36-33-63)100(158)137-82(105(163)126-74(38-40-85(113)142)97(155)130-77(47-62-22-11-9-12-23-62)104(162)138-92(59(4)5)108(166)128-73(39-41-89(146)147)95(153)123-55-87(115)144)56-174-175-57-83(136-99(157)75(46-58(2)3)129-94(152)61(7)124-88(145)31-13-10-18-45-171-173(169,170)172-68-37-34-64-24-14-15-25-65(64)49-68)106(164)133-79(52-90(148)149)103(161)135-81(51-86(114)143)110(168)140-44-21-30-84(140)107(165)127-72(98(156)139-93)29-20-43-121-112(118)119/h9,11-12,14-17,22-27,32-37,49,54,58-61,71-84,92-93,122,141H,8,10,13,18-21,28-31,38-48,50-53,55-57H2,1-7H3,(H2,113,142)(H2,114,143)(H2,115,144)(H,123,153)(H,124,145)(H,125,160)(H,126,163)(H,127,165)(H,128,166)(H,129,152)(H,130,155)(H,131,159)(H,132,154)(H,133,164)(H,134,167)(H,135,161)(H,136,157)(H,137,158)(H,138,162)(H,139,156)(H,146,147)(H,148,149)(H,150,151)(H,169,170)(H4,116,117,120)(H4,118,119,121)/t60-,61-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50127214
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)OCCCCCc1ccccc1
Show InChI InChI=1S/C113H165N28O32PS2/c1-8-63(6)94-110(168)135-81(56-92(151)152)103(161)126-72(33-23-45-121-112(117)118)97(155)133-79(53-68-57-123-71-32-20-19-31-70(68)71)102(160)132-77(52-67-37-39-69(142)40-38-67)101(159)138-83(106(164)127-75(41-43-86(114)143)98(156)131-78(51-66-29-15-10-16-30-66)105(163)139-93(62(4)5)109(167)129-74(42-44-90(147)148)96(154)124-58-88(116)145)59-175-176-60-84(137-100(158)76(50-61(2)3)130-95(153)64(7)125-89(146)36-18-12-22-49-173-174(170,171)172-48-21-11-17-28-65-26-13-9-14-27-65)107(165)134-80(55-91(149)150)104(162)136-82(54-87(115)144)111(169)141-47-25-35-85(141)108(166)128-73(99(157)140-94)34-24-46-122-113(119)120/h9-10,13-16,19-20,26-27,29-32,37-40,57,61-64,72-85,93-94,123,142H,8,11-12,17-18,21-25,28,33-36,41-56,58-60H2,1-7H3,(H2,114,143)(H2,115,144)(H2,116,145)(H,124,154)(H,125,146)(H,126,161)(H,127,164)(H,128,166)(H,129,167)(H,130,153)(H,131,156)(H,132,160)(H,133,155)(H,134,165)(H,135,168)(H,136,162)(H,137,158)(H,138,159)(H,139,163)(H,140,157)(H,147,148)(H,149,150)(H,151,152)(H,170,171)(H4,117,118,121)(H4,119,120,122)/t63-,64-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,93-,94-/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 2.40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119057
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C110H151N29O31S3/c1-8-57(6)91-107(167)132-77(50-89(150)151)100(160)123-68(25-16-40-118-109(114)115)94(154)130-75(47-63-51-120-67-24-15-14-23-66(63)67)99(159)129-73(45-60-28-31-64(140)32-29-60)98(158)135-79(103(163)124-71(34-36-82(111)141)95(155)128-74(44-59-19-10-9-11-20-59)102(162)136-90(56(4)5)106(166)126-70(35-39-87(146)147)93(153)121-52-84(113)143)53-171-172-54-80(134-97(157)72(43-55(2)3)127-92(152)58(7)122-85(144)37-38-86(145)138-173(169,170)65-33-30-61-21-12-13-22-62(61)46-65)104(164)131-76(49-88(148)149)101(161)133-78(48-83(112)142)108(168)139-42-18-27-81(139)105(165)125-69(96(156)137-91)26-17-41-119-110(116)117/h9-15,19-24,28-33,46,51,55-58,68-81,90-91,120,140H,8,16-18,25-27,34-45,47-50,52-54H2,1-7H3,(H2,111,141)(H2,112,142)(H2,113,143)(H,121,153)(H,122,144)(H,123,160)(H,124,163)(H,125,165)(H,126,166)(H,127,152)(H,128,155)(H,129,159)(H,130,154)(H,131,164)(H,132,167)(H,133,161)(H,134,157)(H,135,158)(H,136,162)(H,137,156)(H,138,145)(H,146,147)(H,148,149)(H,150,151)(H4,114,115,118)(H4,116,117,119)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,90-,91+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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n/an/a 2.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119055
PNG
(Biotinylated E-76 peptide analogue | CHEMBL414777)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C106H145N29O28S2/c1-8-54(6)86-103(162)129-74(47-84(144)145)96(155)120-64(25-16-38-114-105(110)111)90(149)127-72(44-59-48-116-63-24-15-13-22-61(59)63)95(154)126-70(43-57-28-31-60(136)32-29-57)94(153)132-76(99(158)121-68(34-36-79(107)137)91(150)125-71(42-56-19-10-9-11-20-56)98(157)133-85(53(4)5)102(161)123-66(35-37-82(140)141)88(147)117-49-81(109)139)50-164-165-51-77(131-93(152)69(41-52(2)3)124-87(146)55(7)118-89(148)67-33-30-58-21-12-14-23-62(58)119-67)100(159)128-73(46-83(142)143)97(156)130-75(45-80(108)138)104(163)135-40-18-27-78(135)101(160)122-65(92(151)134-86)26-17-39-115-106(112)113/h9-15,19-24,28-33,48,52-55,64-66,68-78,85-86,116,136H,8,16-18,25-27,34-47,49-51H2,1-7H3,(H2,107,137)(H2,108,138)(H2,109,139)(H,117,147)(H,118,148)(H,120,155)(H,121,158)(H,122,160)(H,123,161)(H,124,146)(H,125,150)(H,126,154)(H,127,149)(H,128,159)(H,129,162)(H,130,156)(H,131,152)(H,132,153)(H,133,157)(H,134,151)(H,140,141)(H,142,143)(H,144,145)(H4,110,111,114)(H4,112,113,115)/t54-,55-,64+,65-,66-,68-,69-,70+,71-,72-,73+,74-,75-,76+,77+,78+,85-,86+/m0/s1
PDB
MMDB

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n/an/a 2.90n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119057
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C110H151N29O31S3/c1-8-57(6)91-107(167)132-77(50-89(150)151)100(160)123-68(25-16-40-118-109(114)115)94(154)130-75(47-63-51-120-67-24-15-14-23-66(63)67)99(159)129-73(45-60-28-31-64(140)32-29-60)98(158)135-79(103(163)124-71(34-36-82(111)141)95(155)128-74(44-59-19-10-9-11-20-59)102(162)136-90(56(4)5)106(166)126-70(35-39-87(146)147)93(153)121-52-84(113)143)53-171-172-54-80(134-97(157)72(43-55(2)3)127-92(152)58(7)122-85(144)37-38-86(145)138-173(169,170)65-33-30-61-21-12-13-22-62(61)46-65)104(164)131-76(49-88(148)149)101(161)133-78(48-83(112)142)108(168)139-42-18-27-81(139)105(165)125-69(96(156)137-91)26-17-41-119-110(116)117/h9-15,19-24,28-33,46,51,55-58,68-81,90-91,120,140H,8,16-18,25-27,34-45,47-50,52-54H2,1-7H3,(H2,111,141)(H2,112,142)(H2,113,143)(H,121,153)(H,122,144)(H,123,160)(H,124,163)(H,125,165)(H,126,166)(H,127,152)(H,128,155)(H,129,159)(H,130,154)(H,131,164)(H,132,167)(H,133,161)(H,134,157)(H,135,158)(H,136,162)(H,137,156)(H,138,145)(H,146,147)(H,148,149)(H,150,151)(H4,114,115,118)(H4,116,117,119)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,90-,91+/m0/s1
PDB
MMDB

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n/an/a 3.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% ovalbumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424066
PNG
(CHEMBL2314739)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C28H25NO5/c1-31-24-9-8-19-13-23-21-15-26-25(32-17-33-26)14-20(21)11-12-29(23)16-22(19)28(24)34-27(30)10-7-18-5-3-2-4-6-18/h2-10,14-15,23H,11-13,16-17H2,1H3/b10-7+
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Article
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n/an/a 3.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50127213
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237234...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)OC1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C120H169N28O32PS2/c1-8-67(6)100-116(175)142-87(60-98(158)159)109(168)133-78(34-23-50-128-118(124)125)103(162)140-85(57-71-61-130-77-33-21-20-32-76(71)77)108(167)139-83(56-70-38-40-74(149)41-39-70)107(166)145-89(112(171)134-81(42-44-92(121)150)104(163)138-84(55-69-26-13-9-14-27-69)111(170)146-99(66(4)5)115(174)136-80(43-45-96(154)155)102(161)131-62-94(123)152)63-182-183-64-90(113(172)141-86(59-97(156)157)110(169)143-88(58-93(122)151)117(176)148-52-25-36-91(148)114(173)135-79(105(164)147-100)35-24-51-129-119(126)127)144-106(165)82(54-65(2)3)137-101(160)68(7)132-95(153)37-19-12-22-53-179-181(177,178)180-75-46-48-120(49-47-75,72-28-15-10-16-29-72)73-30-17-11-18-31-73/h9-11,13-18,20-21,26-33,38-41,61,65-68,75,78-91,99-100,130,149H,8,12,19,22-25,34-37,42-60,62-64H2,1-7H3,(H2,121,150)(H2,122,151)(H2,123,152)(H,131,161)(H,132,153)(H,133,168)(H,134,171)(H,135,173)(H,136,174)(H,137,160)(H,138,163)(H,139,167)(H,140,162)(H,141,172)(H,142,175)(H,143,169)(H,144,165)(H,145,166)(H,146,170)(H,147,164)(H,154,155)(H,156,157)(H,158,159)(H,177,178)(H4,124,125,128)(H4,126,127,129)/t67-,68-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% ovalbumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50127213
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237234...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)OC1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C120H169N28O32PS2/c1-8-67(6)100-116(175)142-87(60-98(158)159)109(168)133-78(34-23-50-128-118(124)125)103(162)140-85(57-71-61-130-77-33-21-20-32-76(71)77)108(167)139-83(56-70-38-40-74(149)41-39-70)107(166)145-89(112(171)134-81(42-44-92(121)150)104(163)138-84(55-69-26-13-9-14-27-69)111(170)146-99(66(4)5)115(174)136-80(43-45-96(154)155)102(161)131-62-94(123)152)63-182-183-64-90(113(172)141-86(59-97(156)157)110(169)143-88(58-93(122)151)117(176)148-52-25-36-91(148)114(173)135-79(105(164)147-100)35-24-51-129-119(126)127)144-106(165)82(54-65(2)3)137-101(160)68(7)132-95(153)37-19-12-22-53-179-181(177,178)180-75-46-48-120(49-47-75,72-28-15-10-16-29-72)73-30-17-11-18-31-73/h9-11,13-18,20-21,26-33,38-41,61,65-68,75,78-91,99-100,130,149H,8,12,19,22-25,34-37,42-60,62-64H2,1-7H3,(H2,121,150)(H2,122,151)(H2,123,152)(H,131,161)(H,132,153)(H,133,168)(H,134,171)(H,135,173)(H,136,174)(H,137,160)(H,138,163)(H,139,167)(H,140,162)(H,141,172)(H,142,175)(H,143,169)(H,144,165)(H,145,166)(H,146,170)(H,147,164)(H,154,155)(H,156,157)(H,158,159)(H,177,178)(H4,124,125,128)(H4,126,127,129)/t67-,68-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% ovalbumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119056
PNG
(Biotinylated E-76 peptide analogue | CHEMBL439444)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C109H148N28O28S2/c1-8-57(6)89-106(164)131-77(50-87(146)147)99(157)122-68(26-17-41-117-108(113)114)93(151)129-75(47-64-51-119-67-25-16-15-24-66(64)67)98(156)128-73(46-60-29-35-65(138)36-30-60)97(155)134-79(102(160)123-71(37-39-82(110)139)94(152)127-74(45-59-20-11-9-12-21-59)101(159)135-88(56(4)5)105(163)125-70(38-40-85(142)143)92(150)120-52-84(112)141)53-166-167-54-80(133-96(154)72(44-55(2)3)126-90(148)58(7)121-91(149)63-33-31-62(32-34-63)61-22-13-10-14-23-61)103(161)130-76(49-86(144)145)100(158)132-78(48-83(111)140)107(165)137-43-19-28-81(137)104(162)124-69(95(153)136-89)27-18-42-118-109(115)116/h9-16,20-25,29-36,51,55-58,68-81,88-89,119,138H,8,17-19,26-28,37-50,52-54H2,1-7H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,120,150)(H,121,149)(H,122,157)(H,123,160)(H,124,162)(H,125,163)(H,126,148)(H,127,152)(H,128,156)(H,129,151)(H,130,161)(H,131,164)(H,132,158)(H,133,154)(H,134,155)(H,135,159)(H,136,153)(H,142,143)(H,144,145)(H,146,147)(H4,113,114,117)(H4,115,116,118)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,88-,89+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13592
PNG
(2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxyp...)
Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (human))
BDBM50167830
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-[1-({[(4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(N)=O)C(N)=N
Show InChI InChI=1S/C29H37N9O4/c1-5-16(4)37-28(41)20-8-19(9-21(30)10-20)23-13-35-27(36-15(2)3)29(42)38(23)14-24(39)34-12-18-7-6-17(25(31)32)11-22(18)26(33)40/h6-11,13,15-16H,5,12,14,30H2,1-4H3,(H3,31,32)(H2,33,40)(H,34,39)(H,35,36)(H,37,41)/t16-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424072
PNG
(CHEMBL2314733 | R-(+)-Tetrahydroberberrubine)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50439474
PNG
(CHEMBL2417906)
Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C30H31N5O6/c1-30(2,3)23(15-36)34-27(37)17-5-7-20(22(14-17)29(39)40)21-9-10-24(41-4)35-25(21)28(38)33-18-6-8-19-16(13-18)11-12-32-26(19)31/h5-14,23,36H,15H2,1-4H3,(H2,31,32)(H,33,38)(H,34,37)(H,39,40)/t23-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (human))
BDBM31501
PNG
(substituted biphenyl derivative, 36ao)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1CO
Show InChI InChI=1S/C31H30N4O6/c1-17(2)15-34-29(37)20-6-10-24(26(14-20)31(39)40)23-9-5-19(22-11-12-41-27(22)16-36)13-25(23)30(38)35-21-7-3-18(4-8-21)28(32)33/h3-14,17,36H,15-16H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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n/an/a 8n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50203122
PNG
(5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1...)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
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n/an/a 8.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424063
PNG
(CHEMBL2314742)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H29NO9/c1-31-17-3-2-12-6-16-14-8-19-18(32-11-33-19)7-13(14)4-5-26(16)9-15(12)24(17)35-25-23(30)22(29)21(28)20(10-27)34-25/h2-3,7-8,16,20-23,25,27-30H,4-6,9-11H2,1H3/t16-,20-,21-,22+,23-,25+/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31497
PNG
(substituted biphenyl derivative, 36ak)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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n/an/a 9n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31499
PNG
(substituted biphenyl derivative, 36am)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CN=[N+]=[N-]
Show InChI InChI=1S/C31H29N7O4S/c1-17(2)13-35-29(39)20-6-10-24(26(12-20)31(41)42)23-9-5-19(27-16-43-15-21(27)14-36-38-34)11-25(23)30(40)37-22-7-3-18(4-8-22)28(32)33/h3-12,15-17H,13-14H2,1-2H3,(H3,32,33)(H,35,39)(H,37,40)(H,41,42)
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n/an/a 9n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50439477
PNG
(CHEMBL2417903)
Show SMILES CCNc1ccc(c(n1)C(=O)Nc1ccc2c(N)nccc2c1)-c1ccc(cc1C(O)=O)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C30H32N6O4/c1-5-32-24-11-10-22(21-8-6-18(15-23(21)29(39)40)27(37)34-16-30(2,3)4)25(36-24)28(38)35-19-7-9-20-17(14-19)12-13-33-26(20)31/h6-15H,5,16H2,1-4H3,(H2,31,33)(H,32,36)(H,34,37)(H,35,38)(H,39,40)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31468
PNG
(substituted biphenyl derivative, 36h)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H28N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h5-15,17H,1,16H2,2-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)
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n/an/a 9n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31488
PNG
(substituted biphenyl derivative, 36ab)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccco1
Show InChI InChI=1S/C30H28N4O5/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 9n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31462
PNG
(substituted biphenyl derivative, 36b)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H28N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h4-14,16H,1,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)
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n/an/a 9n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50127212
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C112H157N28O32PS2/c1-8-60(6)93-109(167)134-80(53-91(150)151)102(160)125-71(28-19-42-120-111(116)117)96(154)132-78(50-66-54-122-70-27-17-16-26-69(66)70)101(159)131-76(48-63-32-35-67(141)36-33-63)100(158)137-82(105(163)126-74(38-40-85(113)142)97(155)130-77(47-62-22-11-9-12-23-62)104(162)138-92(59(4)5)108(166)128-73(39-41-89(146)147)95(153)123-55-87(115)144)56-174-175-57-83(136-99(157)75(46-58(2)3)129-94(152)61(7)124-88(145)31-13-10-18-45-171-173(169,170)172-68-37-34-64-24-14-15-25-65(64)49-68)106(164)133-79(52-90(148)149)103(161)135-81(51-86(114)143)110(168)140-44-21-30-84(140)107(165)127-72(98(156)139-93)29-20-43-121-112(118)119/h9,11-12,14-17,22-27,32-37,49,54,58-61,71-84,92-93,122,141H,8,10,13,18-21,28-31,38-48,50-53,55-57H2,1-7H3,(H2,113,142)(H2,114,143)(H2,115,144)(H,123,153)(H,124,145)(H,125,160)(H,126,163)(H,127,165)(H,128,166)(H,129,152)(H,130,155)(H,131,159)(H,132,154)(H,133,164)(H,134,167)(H,135,161)(H,136,157)(H,137,158)(H,138,162)(H,139,156)(H,146,147)(H,148,149)(H,150,151)(H,169,170)(H4,116,117,120)(H4,118,119,121)/t60-,61-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50127212
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL237233...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C112H157N28O32PS2/c1-8-60(6)93-109(167)134-80(53-91(150)151)102(160)125-71(28-19-42-120-111(116)117)96(154)132-78(50-66-54-122-70-27-17-16-26-69(66)70)101(159)131-76(48-63-32-35-67(141)36-33-63)100(158)137-82(105(163)126-74(38-40-85(113)142)97(155)130-77(47-62-22-11-9-12-23-62)104(162)138-92(59(4)5)108(166)128-73(39-41-89(146)147)95(153)123-55-87(115)144)56-174-175-57-83(136-99(157)75(46-58(2)3)129-94(152)61(7)124-88(145)31-13-10-18-45-171-173(169,170)172-68-37-34-64-24-14-15-25-65(64)49-68)106(164)133-79(52-90(148)149)103(161)135-81(51-86(114)143)110(168)140-44-21-30-84(140)107(165)127-72(98(156)139-93)29-20-43-121-112(118)119/h9,11-12,14-17,22-27,32-37,49,54,58-61,71-84,92-93,122,141H,8,10,13,18-21,28-31,38-48,50-53,55-57H2,1-7H3,(H2,113,142)(H2,114,143)(H2,115,144)(H,123,153)(H,124,145)(H,125,160)(H,126,163)(H,127,165)(H,128,166)(H,129,152)(H,130,155)(H,131,159)(H,132,154)(H,133,164)(H,134,167)(H,135,161)(H,136,157)(H,137,158)(H,138,162)(H,139,156)(H,146,147)(H,148,149)(H,150,151)(H,169,170)(H4,116,117,120)(H4,118,119,121)/t60-,61-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119050
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O
Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% ovalbumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50167833
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)Nc1ccncc1)C(N)=N
Show InChI InChI=1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (human))
BDBM50119050
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O
Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31486
PNG
(substituted biphenyl derivative, 36z)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccs1
Show InChI InChI=1S/C30H28N4O4S/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 10n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119047
PNG
(Biotinylated E-76 peptide analogue | CHEMBL441926)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C105H150N28O29S3/c1-11-54(7)85-102(159)126-73(46-83(142)143)95(152)117-64(24-17-35-113-104(109)110)89(146)124-71(43-60-47-115-63-23-16-15-22-62(60)63)94(151)123-69(42-59-27-29-61(134)30-28-59)93(150)129-75(98(155)118-67(31-33-78(106)135)90(147)122-70(41-58-20-13-12-14-21-58)97(154)130-84(52(4)5)101(158)120-66(32-34-81(138)139)88(145)116-48-80(108)137)49-163-164-50-76(128-92(149)68(38-51(2)3)121-87(144)57(10)132-165(161,162)86-55(8)39-53(6)40-56(86)9)99(156)125-72(45-82(140)141)96(153)127-74(44-79(107)136)103(160)133-37-19-26-77(133)100(157)119-65(91(148)131-85)25-18-36-114-105(111)112/h12-16,20-23,27-30,39-40,47,51-52,54,57,64-77,84-85,115,132,134H,11,17-19,24-26,31-38,41-46,48-50H2,1-10H3,(H2,106,135)(H2,107,136)(H2,108,137)(H,116,145)(H,117,152)(H,118,155)(H,119,157)(H,120,158)(H,121,144)(H,122,147)(H,123,151)(H,124,146)(H,125,156)(H,126,159)(H,127,153)(H,128,149)(H,129,150)(H,130,154)(H,131,148)(H,138,139)(H,140,141)(H,142,143)(H4,109,110,113)(H4,111,112,114)/t54-,57-,64+,65-,66-,67-,68-,69+,70-,71-,72+,73-,74-,75+,76+,77+,84-,85+/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31487
PNG
(substituted biphenyl derivative, 36aa)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1
Show InChI InChI=1S/C30H28N4O4S/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 10n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119050
PNG
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O
Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin


Bioorg Med Chem Lett 13: 1513-5 (2003)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31489
PNG
(substituted biphenyl derivative, 36ac)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1
Show InChI InChI=1S/C30H28N4O5/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 11n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31493
PNG
(substituted biphenyl derivative, 36ag)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C31H30N4O4S/c1-18(2)17-34-29(36)21-8-12-25(27(16-21)31(38)39)24-11-5-19(14-23-4-3-13-40-23)15-26(24)30(37)35-22-9-6-20(7-10-22)28(32)33/h3-13,15-16,18H,14,17H2,1-2H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)
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BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50439487
PNG
(CHEMBL2417893)
Show SMILES CCOc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C30H31N5O5/c1-5-40-24-11-10-22(21-8-6-18(15-23(21)29(38)39)27(36)33-16-30(2,3)4)25(35-24)28(37)34-19-7-9-20-17(14-19)12-13-32-26(20)31/h6-15H,5,16H2,1-4H3,(H2,31,32)(H,33,36)(H,34,37)(H,38,39)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50439475
PNG
(CHEMBL2417905)
Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H29N5O5/c1-27(2,3)14-30-24(33)16-7-10-18(20(13-16)26(35)36)19-11-12-21(37-4)32-22(19)25(34)31-17-8-5-15(6-9-17)23(28)29/h5-13H,14H2,1-4H3,(H3,28,29)(H,30,33)(H,31,34)(H,35,36)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31470
PNG
(substituted biphenyl derivative, 36j)
Show SMILES C\C=C/Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
Show InChI InChI=1S/C30H32N4O4/c1-4-5-6-19-7-13-23(25(15-19)29(36)34-22-11-8-20(9-12-22)27(31)32)24-14-10-21(16-26(24)30(37)38)28(35)33-17-18(2)3/h4-5,7-16,18H,6,17H2,1-3H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)/b5-4-
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n/an/a 11n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119053
PNG
(Biotinylated E-76 peptide analogue | CHEMBL415402)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C106H145N29O28S2/c1-8-54(6)86-103(162)129-74(46-84(144)145)96(155)120-65(25-16-36-114-105(110)111)90(149)127-72(43-59-47-117-64-24-15-13-22-62(59)64)95(154)126-70(41-57-28-30-61(136)31-29-57)94(153)132-76(99(158)121-68(32-34-79(107)137)91(150)125-71(40-56-19-10-9-11-20-56)98(157)133-85(53(4)5)102(161)123-67(33-35-82(140)141)89(148)118-49-81(109)139)50-164-165-51-77(131-93(152)69(39-52(2)3)124-87(146)55(7)119-88(147)60-42-58-21-12-14-23-63(58)116-48-60)100(159)128-73(45-83(142)143)97(156)130-75(44-80(108)138)104(163)135-38-18-27-78(135)101(160)122-66(92(151)134-86)26-17-37-115-106(112)113/h9-15,19-24,28-31,42,47-48,52-55,65-78,85-86,117,136H,8,16-18,25-27,32-41,43-46,49-51H2,1-7H3,(H2,107,137)(H2,108,138)(H2,109,139)(H,118,148)(H,119,147)(H,120,155)(H,121,158)(H,122,160)(H,123,161)(H,124,146)(H,125,150)(H,126,154)(H,127,149)(H,128,159)(H,129,162)(H,130,156)(H,131,152)(H,132,153)(H,133,157)(H,134,151)(H,140,141)(H,142,143)(H,144,145)(H4,110,111,114)(H4,112,113,115)/t54-,55-,65+,66-,67-,68-,69-,70+,71-,72-,73+,74-,75-,76+,77+,78+,85-,86+/m0/s1
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n/an/a 11.8n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa


Bioorg Med Chem Lett 12: 2883-6 (2002)

More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424072
PNG
(CHEMBL2314733 | R-(+)-Tetrahydroberberrubine)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31474
PNG
(substituted biphenyl derivative, 36n)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CO
Show InChI InChI=1S/C29H30N4O5/c1-16(2)14-32-27(35)20-7-11-23(25(13-20)29(37)38)22-10-6-19(17(3)15-34)12-24(22)28(36)33-21-8-4-18(5-9-21)26(30)31/h4-13,16,34H,3,14-15H2,1-2H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38)
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n/an/a 12n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50167836
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(F)(F)F)C(N)=N
Show InChI InChI=1S/C31H38F3N9O4/c1-5-17(4)42-28(45)21-8-20(9-22(35)10-21)24-13-39-27(41-16(2)3)30(47)43(24)14-25(44)38-12-19-7-6-18(26(36)37)11-23(19)29(46)40-15-31(32,33)34/h6-11,13,16-17H,5,12,14-15,35H2,1-4H3,(H3,36,37)(H,38,44)(H,39,41)(H,40,46)(H,42,45)/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50424061
PNG
(CHEMBL2314744)
Show SMILES COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C26H33NO9/c1-32-18-5-4-13-8-17-15-10-20(34-3)19(33-2)9-14(15)6-7-27(17)11-16(13)25(18)36-26-24(31)23(30)22(29)21(12-28)35-26/h4-5,9-10,17,21-24,26,28-31H,6-8,11-12H2,1-3H3/t17-,21-,22-,23+,24-,26+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50439486
PNG
(CHEMBL2417894)
Show SMILES CCCOc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C31H33N5O5/c1-5-14-41-25-11-10-23(22-8-6-19(16-24(22)30(39)40)28(37)34-17-31(2,3)4)26(36-25)29(38)35-20-7-9-21-18(15-20)12-13-33-27(21)32/h6-13,15-16H,5,14,17H2,1-4H3,(H2,32,33)(H,34,37)(H,35,38)(H,39,40)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50439473
PNG
(CHEMBL2417907)
Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)NCC(C)(C)C)c(n1)C(=O)Nc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C29H29N5O5/c1-29(2,3)15-32-26(35)17-5-7-20(22(14-17)28(37)38)21-9-10-23(39-4)34-24(21)27(36)33-18-6-8-19-16(13-18)11-12-31-25(19)30/h5-14H,15H2,1-4H3,(H2,30,31)(H,32,35)(H,33,36)(H,37,38)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31467
PNG
(substituted biphenyl derivative, 36g)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(C)=C
Show InChI InChI=1S/C29H30N4O4/c1-16(2)15-32-27(34)20-8-12-23(25(14-20)29(36)37)22-11-7-19(17(3)4)13-24(22)28(35)33-21-9-5-18(6-10-21)26(30)31/h5-14,16H,3,15H2,1-2,4H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)
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n/an/a 13n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Citation and Details
More data for this
Ligand-Target Pair
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