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BDBM16149 (2S)-2-({4-chloro-1-[(diaminomethylidene)amino]isoquinoline-7-}sulfonamido)-3-methylbutanoic acid::substituted glycine deriv. 23

SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O

InChI Key: InChIKey=SGNWRRWWDNCCEY-LBPRGKRZSA-N

Data: 3 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 3 hits for monomerid = 16149   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16149
PNG
((2S)-2-({4-chloro-1-[(diaminomethylidene)amino]iso...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C15H18ClN5O4S/c1-7(2)12(14(22)23)21-26(24,25)8-3-4-9-10(5-8)13(20-15(17)18)19-6-11(9)16/h3-7,12,21H,1-2H3,(H,22,23)(H4,17,18,19,20)/t12-/m0/s1
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Article
PubMed
66n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM16149
PNG
((2S)-2-({4-chloro-1-[(diaminomethylidene)amino]iso...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C15H18ClN5O4S/c1-7(2)12(14(22)23)21-26(24,25)8-3-4-9-10(5-8)13(20-15(17)18)19-6-11(9)16/h3-7,12,21H,1-2H3,(H,22,23)(H4,17,18,19,20)/t12-/m0/s1
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Article
PubMed
4.50E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM16149
PNG
((2S)-2-({4-chloro-1-[(diaminomethylidene)amino]iso...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C15H18ClN5O4S/c1-7(2)12(14(22)23)21-26(24,25)8-3-4-9-10(5-8)13(20-15(17)18)19-6-11(9)16/h3-7,12,21H,1-2H3,(H,22,23)(H4,17,18,19,20)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


J Med Chem 50: 2341-51 (2007)


Article DOI: 10.1021/jm061066t
BindingDB Entry DOI: 10.7270/Q27S7M18
More data for this
Ligand-Target Pair