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BDBM50194745 CHEMBL385900::diphenyl 1-[(N-2-thiophenesulfonyl-D-seryl)-L-alanyl]amino-2-(4-guanidinophenyl)ethanephosphonate

SMILES: [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

InChI Key: InChIKey=XYPIYAMNGMADEW-AIOJJWOTSA-N

Data: 4 IC50

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 4 hits for monomerid = 50194745   
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 and coagulation factor X


(Homo sapiens (Human))
BDBM50194745
PNG
(CHEMBL385900 | diphenyl 1-[(N-2-thiophenesulfonyl-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1cccs1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C31H35N6O8PS2/c1-21(34-30(40)26(20-38)37-48(42,43)28-13-8-18-47-28)29(39)36-27(19-22-14-16-23(17-15-22)35-31(32)33)46(41,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26-27,37-38H,19-20H2,1H3,(H,34,40)(H,36,39)(H4,32,33,35)/t21-,26+,27?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50194745
PNG
(CHEMBL385900 | diphenyl 1-[(N-2-thiophenesulfonyl-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1cccs1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C31H35N6O8PS2/c1-21(34-30(40)26(20-38)37-48(42,43)28-13-8-18-47-28)29(39)36-27(19-22-14-16-23(17-15-22)35-31(32)33)46(41,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26-27,37-38H,19-20H2,1H3,(H,34,40)(H,36,39)(H4,32,33,35)/t21-,26+,27?/m0/s1
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Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50194745
PNG
(CHEMBL385900 | diphenyl 1-[(N-2-thiophenesulfonyl-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1cccs1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C31H35N6O8PS2/c1-21(34-30(40)26(20-38)37-48(42,43)28-13-8-18-47-28)29(39)36-27(19-22-14-16-23(17-15-22)35-31(32)33)46(41,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26-27,37-38H,19-20H2,1H3,(H,34,40)(H,36,39)(H4,32,33,35)/t21-,26+,27?/m0/s1
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PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50194745
PNG
(CHEMBL385900 | diphenyl 1-[(N-2-thiophenesulfonyl-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1cccs1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C31H35N6O8PS2/c1-21(34-30(40)26(20-38)37-48(42,43)28-13-8-18-47-28)29(39)36-27(19-22-14-16-23(17-15-22)35-31(32)33)46(41,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26-27,37-38H,19-20H2,1H3,(H,34,40)(H,36,39)(H4,32,33,35)/t21-,26+,27?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant tPA


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair