BindingDB logo
myBDB logout

PubMed code 1527787

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C34H47N7O4/c35-31(30(24-12-4-1-5-13-24)25-14-6-2-7-15-25)33(45)41-23-11-17-27(41)32(44)39-26(16-10-20-38-34(36)37)28(42)18-19-29(43)40-21-8-3-9-22-40/h1-2,4-7,12-15,26-27,30-31H,3,8-11,16-23,35H2,(H,39,44)(H4,36,37,38)/t26?,27-,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C34H47N7O4/c35-31(30(24-12-4-1-5-13-24)25-14-6-2-7-15-25)33(45)41-23-11-17-27(41)32(44)39-26(16-10-20-38-34(36)37)28(42)18-19-29(43)40-21-8-3-9-22-40/h1-2,4-7,12-15,26-27,30-31H,3,8-11,16-23,35H2,(H,39,44)(H4,36,37,38)/t26?,27-,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
600n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50004771
PNG
(1-(2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carbo...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C28H43N7O4/c29-21(19-20-9-3-1-4-10-20)27(39)35-18-8-12-23(35)26(38)33-22(11-7-15-32-28(30)31)24(36)13-14-25(37)34-16-5-2-6-17-34/h1,3-4,9-10,21-23H,2,5-8,11-19,29H2,(H,33,38)(H4,30,31,32)/t21-,22?,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50368382
PNG
(CHEMBL1202122)
Show SMILES N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C34H47N7O4/c35-31(30(24-12-4-1-5-13-24)25-14-6-2-7-15-25)33(45)41-23-11-17-27(41)32(44)39-26(16-10-20-38-34(36)37)28(42)18-19-29(43)40-21-8-3-9-22-40/h1-2,4-7,12-15,26-27,30-31H,3,8-11,16-23,35H2,(H,39,44)(H4,36,37,38)/t26?,27-,31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50368381
PNG
(CHEMBL1202107)
Show SMILES N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C32H45N7O4/c33-25(21-22-12-13-23-8-2-3-9-24(23)20-22)31(43)39-19-7-11-27(39)30(42)37-26(10-6-16-36-32(34)35)28(40)14-15-29(41)38-17-4-1-5-18-38/h2-3,8-9,12-13,20,25-27H,1,4-7,10-11,14-19,21,33H2,(H,37,42)(H4,34,35,36)/t25-,26?,27+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.28E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50368380
PNG
(CHEMBL1202123)
Show SMILES NC(Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C32H45N7O4/c33-25(21-22-12-13-23-8-2-3-9-24(23)20-22)31(43)39-19-7-11-27(39)30(42)37-26(10-6-16-36-32(34)35)28(40)14-15-29(41)38-17-4-1-5-18-38/h2-3,8-9,12-13,20,25-27H,1,4-7,10-11,14-19,21,33H2,(H,37,42)(H4,34,35,36)/t25?,26?,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.16E+4n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50368383
PNG
(CHEMBL1202121)
Show SMILES NC(Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C32H45N7O4/c33-25(21-23-11-6-10-22-9-2-3-12-24(22)23)31(43)39-20-8-14-27(39)30(42)37-26(13-7-17-36-32(34)35)28(40)15-16-29(41)38-18-4-1-5-19-38/h2-3,6,9-12,25-27H,1,4-5,7-8,13-21,33H2,(H,37,42)(H4,34,35,36)/t25?,26?,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.35E+4n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C34H47N7O4/c35-31(30(24-12-4-1-5-13-24)25-14-6-2-7-15-25)33(45)41-23-11-17-27(41)32(44)39-26(16-10-20-38-34(36)37)28(42)18-19-29(43)40-21-8-3-9-22-40/h1-2,4-7,12-15,26-27,30-31H,3,8-11,16-23,35H2,(H,39,44)(H4,36,37,38)/t26?,27-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.49E+5n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Citation and Details
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C34H47N7O4/c35-31(30(24-12-4-1-5-13-24)25-14-6-2-7-15-25)33(45)41-23-11-17-27(41)32(44)39-26(16-10-20-38-34(36)37)28(42)18-19-29(43)40-21-8-3-9-22-40/h1-2,4-7,12-15,26-27,30-31H,3,8-11,16-23,35H2,(H,39,44)(H4,36,37,38)/t26?,27-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.57E+5n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against plasmin


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C34H47N7O4/c35-31(30(24-12-4-1-5-13-24)25-14-6-2-7-15-25)33(45)41-23-11-17-27(41)32(44)39-26(16-10-20-38-34(36)37)28(42)18-19-29(43)40-21-8-3-9-22-40/h1-2,4-7,12-15,26-27,30-31H,3,8-11,16-23,35H2,(H,39,44)(H4,36,37,38)/t26?,27-,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.99E+5n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C34H47N7O4/c35-31(30(24-12-4-1-5-13-24)25-14-6-2-7-15-25)33(45)41-23-11-17-27(41)32(44)39-26(16-10-20-38-34(36)37)28(42)18-19-29(43)40-21-8-3-9-22-40/h1-2,4-7,12-15,26-27,30-31H,3,8-11,16-23,35H2,(H,39,44)(H4,36,37,38)/t26?,27-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.94E+5n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%