BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 730 hits of ic50 for UniProtKB: P00735   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin


(Bos taurus (Bovine))
BDBM50063047
PNG
(CHEMBL3398148)
Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of bovine plasma thrombin using Benzoyl-Phe-Val-Arg-7-amido-4-methylcoumarin hydrochloride by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50084637
PNG
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of bovine plasma thrombin using Benzoyl-Phe-Val-Arg-7-amido-4-methylcoumarin hydrochloride by spectrophotometry


Bioorg Med Chem 23: 1123-34 (2015)


Article DOI: 10.1016/j.bmc.2014.12.056
BindingDB Entry DOI: 10.7270/Q2CJ8G5M
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50228863
PNG
((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029508
PNG
(1N-[1-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C=O)c1ccccc1
Show InChI InChI=1S/C22H29F3N6O4/c1-2-21(14-7-4-3-5-8-14,30-18(34)22(23,24)25)19(35)31-12-10-16(31)17(33)29-15(13-32)9-6-11-28-20(26)27/h3-5,7-8,13,15-16H,2,6,9-12H2,1H3,(H,29,33)(H,30,34)(H4,26,27,28)/t15-,16-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029498
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C=O)c1ccccc1
Show InChI InChI=1S/C21H27F3N6O4/c1-20(13-6-3-2-4-7-13,29-17(33)21(22,23)24)18(34)30-11-9-15(30)16(32)28-14(12-31)8-5-10-27-19(25)26/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H,28,32)(H,29,33)(H4,25,26,27)/t14-,15-,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50269544
PNG
(CHEMBL510512 | tellimagrandin II)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogen


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029506
PNG
(CHEMBL318998 | tert-butyloxy carbonyl-D-ethylpheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029515
PNG
(CHEMBL141584 | tert-butyloxy carbonyl-D-Phe-azetid...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C24H36N6O6/c1-24(2,3)36-23(35)29-17(14-15-8-5-4-6-9-15)20(32)30-13-11-18(30)19(31)28-16(21(33)34)10-7-12-27-22(25)26/h4-6,8-9,16-18H,7,10-14H2,1-3H3,(H,28,31)(H,29,35)(H,33,34)(H4,25,26,27)/t16-,17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029500
PNG
((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O
Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h1-2,5-6,13,16-18,25H,3-4,7-12H2,(H,26,29)(H4,22,23,24)/t16-,17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029501
PNG
(5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)25-10-3-6-15(13-28)26-19(29)17-8-4-12-27(17)20(30)18-16-7-2-1-5-14(16)9-11-24-18/h13-18,24H,1-12H2,(H,26,29)(H4,22,23,25)/t14-,15-,16-,17-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029514
PNG
((S)-1-((R)-2-Acetylamino-2-phenyl-propionyl)-azeti...)
Show SMILES CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C21H30N6O4/c1-14(29)26-21(2,15-7-4-3-5-8-15)19(31)27-12-10-17(27)18(30)25-16(13-28)9-6-11-24-20(22)23/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,25,30)(H,26,29)(H4,22,23,24)/t16-,17-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50280654
PNG
((S)-5-Guanidino-2-{[(S)-1-((S)-2-methylamino-2-phe...)
Show SMILES CN[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O4/c1-23-16(13-7-3-2-4-8-13)18(28)26-12-6-10-15(26)17(27)25-14(19(29)30)9-5-11-24-20(21)22/h2-4,7-8,14-16,23H,5-6,9-12H2,1H3,(H,25,27)(H,29,30)(H4,21,22,24)/t14-,15-,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit 50% of 6 nM thrombin


Bioorg Med Chem Lett 2: 1025-1028 (1992)


Article DOI: 10.1016/S0960-894X(00)80611-3
BindingDB Entry DOI: 10.7270/Q2X066XV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029507
PNG
(CHEMBL2370860 | {(R)-2-[2-((S)-1-Formyl-4-guanidin...)
Show SMILES CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C=O)c1ccccc1
Show InChI InChI=1S/C24H36N6O5/c1-23(2,3)35-22(34)29-24(4,16-9-6-5-7-10-16)20(33)30-14-12-18(30)19(32)28-17(15-31)11-8-13-27-21(25)26/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,24+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50269547
PNG
(5-desgalloylstachyurin | CHEMBL488110)
Show SMILES O[C@@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)cc1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(=O)OC[C@H]1O
Show InChI InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26+,28-,29+,30+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogen


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50280655
PNG
(3-Isobutyryloxy-benzo[4,5]thieno[3,2-b]furan-2-car...)
Show SMILES COC(=O)c1oc2c(sc3ccccc23)c1OC(=O)C(C)C
Show InChI InChI=1S/C16H14O5S/c1-8(2)15(17)21-12-13(16(18)19-3)20-11-9-6-4-5-7-10(9)22-14(11)12/h4-8H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro concentration of compound required to inhibit 50% of 6 nM thrombin


Bioorg Med Chem Lett 2: 1025-1028 (1992)


Article DOI: 10.1016/S0960-894X(00)80611-3
BindingDB Entry DOI: 10.7270/Q2X066XV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029511
PNG
(CHEMBL104472 | tert-butyloxy carbonyl-D-Phe-pro-Ar...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029513
PNG
((S)-1-((4aS,8aS)-Decahydro-isoquinoline-3-carbonyl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1)C=O
Show InChI InChI=1S/C21H36N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h13-18,25H,1-12H2,(H,26,29)(H4,22,23,24)/t14-,15+,16-,17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogen


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50269546
PNG
(CHEMBL509562 | casuariin)
Show SMILES O[C@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)cc1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(=O)OC[C@H]1O
Show InChI InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogen


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029502
PNG
(1N-[2-[5-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C22H29F3N6O4/c1-21(14-7-3-2-4-8-14,30-18(34)22(23,24)25)19(35)31-12-6-10-16(31)17(33)29-15(13-32)9-5-11-28-20(26)27/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H,29,33)(H,30,34)(H4,26,27,28)/t15-,16-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50269544
PNG
(CHEMBL510512 | tellimagrandin II)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029499
PNG
(CHEMBL141834 | tert-butyloxy carbonyl-D-Phe-thiazo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CSCC1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C24H36N6O5S/c1-24(2,3)35-23(34)29-18(12-16-8-5-4-6-9-16)21(33)30-15-36-14-19(30)20(32)28-17(13-31)10-7-11-27-22(25)26/h4-6,8-9,13,17-19H,7,10-12,14-15H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404409
PNG
(CHEMBL286515)
Show SMILES CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H31N5O6S/c1-15-10-12-30(20(13-15)24(32)33)23(31)19(6-4-11-28-25(26)27)29-37(34,35)16-8-9-22-18(14-16)17-5-2-3-7-21(17)36-22/h2-3,5,7-9,14-15,19-20,29H,4,6,10-13H2,1H3,(H,32,33)(H4,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404434
PNG
(CHEMBL430540)
Show SMILES CC(C)C1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(C)cc2c1
Show InChI InChI=1S/C26H37N5O5S/c1-16(2)19-10-12-31(23(15-19)25(33)34)24(32)22(5-4-11-29-26(27)28)30-37(35,36)21-9-8-18-7-6-17(3)13-20(18)14-21/h6-9,13-14,16,19,22-23,30H,4-5,10-12,15H2,1-3H3,(H,33,34)(H4,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404412
PNG
(CHEMBL26043)
Show SMILES CCC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(OC)cc2c1
Show InChI InChI=1S/C25H35N5O6S/c1-3-16-10-12-30(22(13-16)24(32)33)23(31)21(5-4-11-28-25(26)27)29-37(34,35)20-9-7-17-6-8-19(36-2)14-18(17)15-20/h6-9,14-16,21-22,29H,3-5,10-13H2,1-2H3,(H,32,33)(H4,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404425
PNG
(CHEMBL26458)
Show SMILES CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2Cc3ccccc3-c2c1
Show InChI InChI=1S/C26H33N5O5S/c1-16-10-12-31(23(13-16)25(33)34)24(32)22(7-4-11-29-26(27)28)30-37(35,36)19-9-8-18-14-17-5-2-3-6-20(17)21(18)15-19/h2-3,5-6,8-9,15-16,22-23,30H,4,7,10-14H2,1H3,(H,33,34)(H4,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM83506
PNG
((5Z)-5-[[2-(3-isopropoxypropylamino)-4-keto-9-meth...)
Show SMILES CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C22H28N4O3S2/c1-5-10-26-21(28)17(31-22(26)30)13-16-18(23-9-7-12-29-14(2)3)24-19-15(4)8-6-11-25(19)20(16)27/h6,8,11,13-14,23H,5,7,9-10,12H2,1-4H3/b17-13-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 148n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404418
PNG
(CHEMBL26174)
Show SMILES CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(C)cc2c1
Show InChI InChI=1S/C24H33N5O5S/c1-15-5-6-17-7-8-19(14-18(17)12-15)35(33,34)28-20(4-3-10-27-24(25)26)22(30)29-11-9-16(2)13-21(29)23(31)32/h5-8,12,14,16,20-21,28H,3-4,9-11,13H2,1-2H3,(H,31,32)(H4,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404562
PNG
(CHEMBL353809)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2Oc3ccccc3Oc2c1
Show InChI InChI=1S/C25H33N5O5S/c1-2-17-11-14-30(15-12-17)24(31)19(6-5-13-28-25(26)27)29-36(32,33)18-9-10-22-23(16-18)35-21-8-4-3-7-20(21)34-22/h3-4,7-10,16-17,19,29H,2,5-6,11-15H2,1H3,(H4,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


Article DOI: 10.1021/jm00182a004
BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404417
PNG
(CHEMBL282857)
Show SMILES CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c1oc1ccccc21
Show InChI InChI=1S/C25H31N5O6S/c1-15-11-13-30(19(14-15)24(32)33)23(31)18(8-5-12-28-25(26)27)29-37(34,35)21-10-4-7-17-16-6-2-3-9-20(16)36-22(17)21/h2-4,6-7,9-10,15,18-19,29H,5,8,11-14H2,1H3,(H,32,33)(H4,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404452
PNG
(CHEMBL286514)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(C)CC1C(O)=O
Show InChI InChI=1S/C24H33N5O6S/c1-15-9-11-29(21(12-15)23(31)32)22(30)20(4-3-10-27-24(25)26)28-36(33,34)19-8-6-16-5-7-18(35-2)13-17(16)14-19/h5-8,13-15,20-21,28H,3-4,9-12H2,1-2H3,(H,31,32)(H4,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404397
PNG
(CHEMBL26403)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC1C(O)=O)C(C)C
Show InChI InChI=1S/C26H37N5O6S/c1-16(2)18-10-12-31(23(15-18)25(33)34)24(32)22(5-4-11-29-26(27)28)30-38(35,36)21-9-7-17-6-8-20(37-3)13-19(17)14-21/h6-9,13-14,16,18,22-23,30H,4-5,10-12,15H2,1-3H3,(H,33,34)(H4,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50242262
PNG
(CHEMBL506204 | PEDUNCULAGIN)
Show SMILES OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
Show InChI InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogen


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404450
PNG
(CHEMBL26228)
Show SMILES CCCCCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc(OC)c(OC)cc2c1
Show InChI InChI=1S/C26H39N5O7S/c1-4-5-6-7-13-31(17-24(32)33)25(34)21(9-8-12-29-26(27)28)30-39(35,36)20-11-10-18-15-22(37-2)23(38-3)16-19(18)14-20/h10-11,14-16,21,30H,4-9,12-13,17H2,1-3H3,(H,32,33)(H4,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404424
PNG
(CHEMBL25928)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N(CC1CCCO1)CC(O)=O
Show InChI InChI=1S/C24H33N5O7S/c1-35-18-8-6-16-7-9-20(13-17(16)12-18)37(33,34)28-21(5-2-10-27-24(25)26)23(32)29(15-22(30)31)14-19-4-3-11-36-19/h6-9,12-13,19,21,28H,2-5,10-11,14-15H2,1H3,(H,30,31)(H4,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50242262
PNG
(CHEMBL506204 | PEDUNCULAGIN)
Show SMILES OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
Show InChI InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50269547
PNG
(5-desgalloylstachyurin | CHEMBL488110)
Show SMILES O[C@@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)cc1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(=O)OC[C@H]1O
Show InChI InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26+,28-,29+,30+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404403
PNG
(CHEMBL26007)
Show SMILES COc1cc2ccc(cc2cc1OC)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N(CC1CCCO1)CC(O)=O
Show InChI InChI=1S/C25H35N5O8S/c1-36-21-12-16-7-8-19(11-17(16)13-22(21)37-2)39(34,35)29-20(6-3-9-28-25(26)27)24(33)30(15-23(31)32)14-18-5-4-10-38-18/h7-8,11-13,18,20,29H,3-6,9-10,14-15H2,1-2H3,(H,31,32)(H4,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404544
PNG
(CHEMBL355327)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c3ccccc3oc12
Show InChI InChI=1S/C25H33N5O4S/c1-2-17-12-15-30(16-13-17)24(31)20(9-6-14-28-25(26)27)29-35(32,33)22-11-5-8-19-18-7-3-4-10-21(18)34-23(19)22/h3-5,7-8,10-11,17,20,29H,2,6,9,12-16H2,1H3,(H4,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


Article DOI: 10.1021/jm00182a004
BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404392
PNG
(CHEMBL24160)
Show SMILES Cc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N(CC1CCCO1)CC(O)=O
Show InChI InChI=1S/C24H33N5O6S/c1-16-6-7-17-8-9-20(13-18(17)12-16)36(33,34)28-21(5-2-10-27-24(25)26)23(32)29(15-22(30)31)14-19-4-3-11-35-19/h6-9,12-13,19,21,28H,2-5,10-11,14-15H2,1H3,(H,30,31)(H4,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404439
PNG
(CHEMBL24106)
Show SMILES CCC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc(OC)c(OC)cc2c1
Show InChI InChI=1S/C26H37N5O7S/c1-4-16-9-11-31(21(12-16)25(33)34)24(32)20(6-5-10-29-26(27)28)30-39(35,36)19-8-7-17-14-22(37-2)23(38-3)15-18(17)13-19/h7-8,13-16,20-21,30H,4-6,9-12H2,1-3H3,(H,33,34)(H4,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404400
PNG
(CHEMBL286957)
Show SMILES CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2Oc3ccccc3Sc2c1
Show InChI InChI=1S/C25H31N5O6S2/c1-15-10-12-30(18(13-15)24(32)33)23(31)17(5-4-11-28-25(26)27)29-38(34,35)16-8-9-20-22(14-16)37-21-7-3-2-6-19(21)36-20/h2-3,6-9,14-15,17-18,29H,4-5,10-13H2,1H3,(H,32,33)(H4,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50269546
PNG
(CHEMBL509562 | casuariin)
Show SMILES O[C@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)cc1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(=O)OC[C@H]1O
Show InChI InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238


J Nat Prod 61: 1356-60 (1999)


Article DOI: 10.1021/np9801458
BindingDB Entry DOI: 10.7270/Q2NP2452
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029512
PNG
(CHEMBL139910 | tert-butyloxy carbonyl-D-Phe-DL-Pro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C27H42N6O5/c1-26(2,3)38-25(37)32-20(16-18-10-7-6-8-11-18)23(36)33-21(13-14-27(33,4)5)22(35)31-19(17-34)12-9-15-30-24(28)29/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,21?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404396
PNG
(CHEMBL283688)
Show SMILES CCCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc(OC)c(OC)cc2c1
Show InChI InChI=1S/C24H35N5O7S/c1-4-5-11-29(15-22(30)31)23(32)19(7-6-10-27-24(25)26)28-37(33,34)18-9-8-16-13-20(35-2)21(36-3)14-17(16)12-18/h8-9,12-14,19,28H,4-7,10-11,15H2,1-3H3,(H,30,31)(H4,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404563
PNG
(CHEMBL352975)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2Oc3ccccc3Cc2c1
Show InChI InChI=1S/C26H35N5O4S/c1-2-18-11-14-31(15-12-18)25(32)22(7-5-13-29-26(27)28)30-36(33,34)21-9-10-24-20(17-21)16-19-6-3-4-8-23(19)35-24/h3-4,6,8-10,17-18,22,30H,2,5,7,11-16H2,1H3,(H4,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


Article DOI: 10.1021/jm00182a004
BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404567
PNG
(CHEMBL168621)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2c(c1)oc1ccccc21
Show InChI InChI=1S/C25H33N5O4S/c1-2-17-11-14-30(15-12-17)24(31)21(7-5-13-28-25(26)27)29-35(32,33)18-9-10-20-19-6-3-4-8-22(19)34-23(20)16-18/h3-4,6,8-10,16-17,21,29H,2,5,7,11-15H2,1H3,(H4,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


Article DOI: 10.1021/jm00182a004
BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404436
PNG
(CHEMBL24318)
Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc(OC)c(OC)cc2c1
Show InChI InChI=1S/C23H33N5O8S/c1-34-10-9-28(14-21(29)30)22(31)18(5-4-8-26-23(24)25)27-37(32,33)17-7-6-15-12-19(35-2)20(36-3)13-16(15)11-17/h6-7,11-13,18,27H,4-5,8-10,14H2,1-3H3,(H,29,30)(H4,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 730 total )  |  Next  |  Last  >>
Jump to: