BindingDB logo
myBDB logout

PubMed code 9599274

Compile data set for download or QSAR
Found 4 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))
BDBM50269601
PNG
(CHEMBL507449 | cyclotheonamide E)
Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-c1ccccc1 |r,t:34|
Show InChI InChI=1S/C43H58N10O9/c1-4-25(2)36-40(60)49-29(22-28-14-17-30(54)18-15-28)16-19-34(55)47-24-32(51-38(58)26(3)48-35(56)23-27-10-6-5-7-11-27)42(62)53-21-9-13-33(53)39(59)50-31(37(57)41(61)52-36)12-8-20-46-43(44)45/h5-7,10-11,14-19,25-26,29,31-33,36,54H,4,8-9,12-13,20-24H2,1-3H3,(H,47,55)(H,48,56)(H,49,60)(H,50,59)(H,51,58)(H,52,61)(H4,44,45,46)/b19-16+/t25-,26+,29-,31+,32+,33+,36+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 667-70 (1998)


Article DOI: 10.1021/np970544n
BindingDB Entry DOI: 10.7270/Q2GB24XX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50259920
PNG
(CHEMBL448342 | Cyclotheonamide E3)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#6](-[#6])-[#6] |r,t:34|
Show InChI InChI=1S/C40H60N10O9/c1-6-23(4)33-37(57)46-26(20-25-11-14-27(51)15-12-25)13-16-31(52)44-21-29(48-35(55)24(5)45-32(53)19-22(2)3)39(59)50-18-8-10-30(50)36(56)47-28(34(54)38(58)49-33)9-7-17-43-40(41)42/h11-16,22-24,26,28-30,33,51H,6-10,17-21H2,1-5H3,(H,44,52)(H,45,53)(H,46,57)(H,47,56)(H,48,55)(H,49,58)(H4,41,42,43)/b16-13+/t23-,24-,26+,28-,29-,30-,33+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 667-70 (1998)


Article DOI: 10.1021/np970544n
BindingDB Entry DOI: 10.7270/Q2GB24XX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50259922
PNG
(CHEMBL505589 | Cyclotheonamide E2)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-c1ccccc1 |r,t:34|
Show InChI InChI=1S/C42H56N10O9/c1-4-24(2)34-39(59)48-28(22-26-14-17-29(53)18-15-26)16-19-33(54)46-23-31(50-36(56)25(3)47-37(57)27-10-6-5-7-11-27)41(61)52-21-9-13-32(52)38(58)49-30(35(55)40(60)51-34)12-8-20-45-42(43)44/h5-7,10-11,14-19,24-25,28,30-32,34,53H,4,8-9,12-13,20-23H2,1-3H3,(H,46,54)(H,47,57)(H,48,59)(H,49,58)(H,50,56)(H,51,60)(H4,43,44,45)/b19-16+/t24-,25-,28+,30-,31-,32-,34+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 667-70 (1998)


Article DOI: 10.1021/np970544n
BindingDB Entry DOI: 10.7270/Q2GB24XX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50118723
PNG
(CHEMBL342672 | CYCLOTHEONAMIDE A | N-[14-Benzyl-18...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-1=O)-[#7]-[#6]=O |r,t:24|
Show InChI InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 667-70 (1998)


Article DOI: 10.1021/np970544n
BindingDB Entry DOI: 10.7270/Q2GB24XX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%