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BDBM50368379 CHEMBL1202120

SMILES: [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1

InChI Key: InChIKey=PQMJEFKQZRCOBY-LNCJMCLISA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50368379   
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
Prothrombin


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
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
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PC cid
PC sid
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PubMed
200n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


J Med Chem 35: 3364-9 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9CPP
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
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

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
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PubMed
600n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin


J Med Chem 35: 3364-9 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9CPP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
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
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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


J Med Chem 35: 3364-9 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9CPP
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
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
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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


J Med Chem 35: 3364-9 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9CPP
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
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
UniProtKB/TrEMBL

antibodypedia
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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


J Med Chem 35: 3364-9 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9CPP
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50368379
PNG
(CHEMBL1202120)
Show SMILES [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
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
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Reactome pathway
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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


J Med Chem 35: 3364-9 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9CPP
More data for this
Ligand-Target Pair