Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50378698' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50378698
(CHEMBL1078314)Show SMILES Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@H]8C[C@@H](O[C@@H]8COP(O)(=O)O[C@H]8C[C@@H](O[C@@H]8COP(O)(=O)O[C@@H]8[C@@H](COP(O)(=O)O[C@@H]9[C@@H](CO)O[C@H]([C@@H]9O)n9cnc%10c9nc(N)[nH]c%10=O)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)n8cc(C)c(=O)[nH]c8=O)n8cc(C)c(=O)[nH]c8=O)O[C@H]([C@@H]7O)n7cnc8c7nc(N)[nH]c8=O)O[C@H]([C@@H]6O)n6cnc7c6nc(N)[nH]c7=O)n6cc(C)c(=O)[nH]c6=O)O[C@H]([C@@H]5O)n5cnc6c5nc(N)[nH]c6=O)n5cc(C)c(=O)[nH]c5=O)O[C@H]([C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)O[C@H]([C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C150H187N57O103P14/c1-43-13-193(145(234)187-112(43)219)70-7-49(299-313(244,245)276-28-64-97(89(213)130(291-64)202-37-163-79-106(202)172-139(154)181-121(79)228)308-321(260,261)274-26-62-85(209)86(210)127(289-62)199-34-160-76-103(199)169-136(151)178-118(76)225)56(282-70)20-268-311(240,241)298-52-10-73(196-16-46(4)115(222)190-148(196)237)285-59(52)23-271-319(256,257)306-101-68(295-134(93(101)217)206-41-167-83-110(206)176-143(158)185-125(83)232)32-280-324(266,267)310-99-66(293-132(91(99)215)204-39-165-81-108(204)174-141(156)183-123(81)230)30-278-316(250,251)302-53-11-74(197-17-47(5)116(223)191-149(197)238)286-60(53)24-272-317(252,253)304-96-63(290-129(88(96)212)201-36-162-78-105(201)171-138(153)180-120(78)227)27-275-315(248,249)301-54-12-75(198-18-48(6)117(224)192-150(198)239)287-61(54)25-273-320(258,259)307-102-69(296-135(94(102)218)207-42-168-84-111(207)177-144(159)186-126(84)233)33-281-323(264,265)309-98-65(292-131(90(98)214)203-38-164-80-107(203)173-140(155)182-122(80)229)29-277-314(246,247)300-50-8-71(194-14-44(2)113(220)188-146(194)235)283-57(50)21-269-312(242,243)297-51-9-72(195-15-45(3)114(221)189-147(195)236)284-58(51)22-270-318(254,255)305-100-67(294-133(92(100)216)205-40-166-82-109(205)175-142(157)184-124(82)231)31-279-322(262,263)303-95-55(19-208)288-128(87(95)211)200-35-161-77-104(200)170-137(152)179-119(77)226/h13-18,34-42,49-75,85-102,127-135,208-218H,7-12,19-33H2,1-6H3,(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,187,219,234)(H,188,220,235)(H,189,221,236)(H,190,222,237)(H,191,223,238)(H,192,224,239)(H3,151,169,178,225)(H3,152,170,179,226)(H3,153,171,180,227)(H3,154,172,181,228)(H3,155,173,182,229)(H3,156,174,183,230)(H3,157,175,184,231)(H3,158,176,185,232)(H3,159,177,186,233)/t49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,127+,128+,129+,130+,131+,132+,133+,134+,135+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a |
University of Science and Technology of China
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin in presence of 100 mJ/cm'2 UV light by surface plasmon resonance assay |
Bioorg Med Chem Lett 19: 5368-71 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.128
BindingDB Entry DOI: 10.7270/Q2S183F6 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50378698
(CHEMBL1078314)Show SMILES Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@H]8C[C@@H](O[C@@H]8COP(O)(=O)O[C@H]8C[C@@H](O[C@@H]8COP(O)(=O)O[C@@H]8[C@@H](COP(O)(=O)O[C@@H]9[C@@H](CO)O[C@H]([C@@H]9O)n9cnc%10c9nc(N)[nH]c%10=O)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)n8cc(C)c(=O)[nH]c8=O)n8cc(C)c(=O)[nH]c8=O)O[C@H]([C@@H]7O)n7cnc8c7nc(N)[nH]c8=O)O[C@H]([C@@H]6O)n6cnc7c6nc(N)[nH]c7=O)n6cc(C)c(=O)[nH]c6=O)O[C@H]([C@@H]5O)n5cnc6c5nc(N)[nH]c6=O)n5cc(C)c(=O)[nH]c5=O)O[C@H]([C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)O[C@H]([C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C150H187N57O103P14/c1-43-13-193(145(234)187-112(43)219)70-7-49(299-313(244,245)276-28-64-97(89(213)130(291-64)202-37-163-79-106(202)172-139(154)181-121(79)228)308-321(260,261)274-26-62-85(209)86(210)127(289-62)199-34-160-76-103(199)169-136(151)178-118(76)225)56(282-70)20-268-311(240,241)298-52-10-73(196-16-46(4)115(222)190-148(196)237)285-59(52)23-271-319(256,257)306-101-68(295-134(93(101)217)206-41-167-83-110(206)176-143(158)185-125(83)232)32-280-324(266,267)310-99-66(293-132(91(99)215)204-39-165-81-108(204)174-141(156)183-123(81)230)30-278-316(250,251)302-53-11-74(197-17-47(5)116(223)191-149(197)238)286-60(53)24-272-317(252,253)304-96-63(290-129(88(96)212)201-36-162-78-105(201)171-138(153)180-120(78)227)27-275-315(248,249)301-54-12-75(198-18-48(6)117(224)192-150(198)239)287-61(54)25-273-320(258,259)307-102-69(296-135(94(102)218)207-42-168-84-111(207)177-144(159)186-126(84)233)33-281-323(264,265)309-98-65(292-131(90(98)214)203-38-164-80-107(203)173-140(155)182-122(80)229)29-277-314(246,247)300-50-8-71(194-14-44(2)113(220)188-146(194)235)283-57(50)21-269-312(242,243)297-51-9-72(195-15-45(3)114(221)189-147(195)236)284-58(51)22-270-318(254,255)305-100-67(294-133(92(100)216)205-40-166-82-109(205)175-142(157)184-124(82)231)31-279-322(262,263)303-95-55(19-208)288-128(87(95)211)200-35-161-77-104(200)170-137(152)179-119(77)226/h13-18,34-42,49-75,85-102,127-135,208-218H,7-12,19-33H2,1-6H3,(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,187,219,234)(H,188,220,235)(H,189,221,236)(H,190,222,237)(H,191,223,238)(H,192,224,239)(H3,151,169,178,225)(H3,152,170,179,226)(H3,153,171,180,227)(H3,154,172,181,228)(H3,155,173,182,229)(H3,156,174,183,230)(H3,157,175,184,231)(H3,158,176,185,232)(H3,159,177,186,233)/t49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,127+,128+,129+,130+,131+,132+,133+,134+,135+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
University of Science and Technology of China
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin by surface plasmon resonance assay |
Bioorg Med Chem Lett 19: 5368-71 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.128
BindingDB Entry DOI: 10.7270/Q2S183F6 |
More data for this
Ligand-Target Pair | |
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