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BDBM50194739 CHEMBL213216::diphenyl 1-[(N-2-thienyl-D-seryl)-L-alanyl]amino-2-(4-guanidinophenyl)ethanephosphonate

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

InChI Key: InChIKey=MLDAHNABORMCIW-UMVYAPTFSA-N

Data: 5 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 5 hits for monomerid = 50194739   
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))
BDBM50194739
PNG
(CHEMBL213216 | diphenyl 1-[(N-2-thienyl-D-seryl)-L...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
Show InChI InChI=1S/C32H35N6O7PS/c1-21(35-30(41)26(20-39)37-31(42)27-13-8-18-47-27)29(40)38-28(19-22-14-16-23(17-15-22)36-32(33)34)46(43,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26,28,39H,19-20H2,1H3,(H,35,41)(H,37,42)(H,38,40)(H4,33,34,36)/t21-,26+,28?/m0/s1
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antibodypedia
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.50E+4n/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))
BDBM50194739
PNG
(CHEMBL213216 | diphenyl 1-[(N-2-thienyl-D-seryl)-L...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
Show InChI InChI=1S/C32H35N6O7PS/c1-21(35-30(41)26(20-39)37-31(42)27-13-8-18-47-27)29(40)38-28(19-22-14-16-23(17-15-22)36-32(33)34)46(43,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26,28,39H,19-20H2,1H3,(H,35,41)(H,37,42)(H,38,40)(H4,33,34,36)/t21-,26+,28?/m0/s1
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n/an/a 1.00E+4n/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50194739
PNG
(CHEMBL213216 | diphenyl 1-[(N-2-thienyl-D-seryl)-L...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
Show InChI InChI=1S/C32H35N6O7PS/c1-21(35-30(41)26(20-39)37-31(42)27-13-8-18-47-27)29(40)38-28(19-22-14-16-23(17-15-22)36-32(33)34)46(43,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26,28,39H,19-20H2,1H3,(H,35,41)(H,37,42)(H,38,40)(H4,33,34,36)/t21-,26+,28?/m0/s1
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n/an/a 1.30E+4n/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
Coagulation factor X


(Bos taurus)
BDBM50194739
PNG
(CHEMBL213216 | diphenyl 1-[(N-2-thienyl-D-seryl)-L...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
Show InChI InChI=1S/C32H35N6O7PS/c1-21(35-30(41)26(20-39)37-31(42)27-13-8-18-47-27)29(40)38-28(19-22-14-16-23(17-15-22)36-32(33)34)46(43,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26,28,39H,19-20H2,1H3,(H,35,41)(H,37,42)(H,38,40)(H4,33,34,36)/t21-,26+,28?/m0/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of bovine F10a at 250 uM


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))
BDBM50194739
PNG
(CHEMBL213216 | diphenyl 1-[(N-2-thienyl-D-seryl)-L...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
Show InChI InChI=1S/C32H35N6O7PS/c1-21(35-30(41)26(20-39)37-31(42)27-13-8-18-47-27)29(40)38-28(19-22-14-16-23(17-15-22)36-32(33)34)46(43,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26,28,39H,19-20H2,1H3,(H,35,41)(H,37,42)(H,38,40)(H4,33,34,36)/t21-,26+,28?/m0/s1
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n/an/a 6.90n/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