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BDBM16156 4-({4-chloro-1-[(diaminomethylidene)amino]isoquinoline-7-}sulfonamido)oxane-4-carboxylic acid::substituted glycine deriv. 30

SMILES: [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#8]-[#6]-[#6]1)[#6](-[#8])=O

InChI Key: InChIKey=ZHHDLYHTFLCWAS-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 16156   
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))
BDBM16156
PNG
(4-({4-chloro-1-[(diaminomethylidene)amino]isoquino...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#8]-[#6]-[#6]1)[#6](-[#8])=O
Show InChI InChI=1S/C16H18ClN5O5S/c17-12-8-20-13(21-15(18)19)11-7-9(1-2-10(11)12)28(25,26)22-16(14(23)24)3-5-27-6-4-16/h1-2,7-8,22H,3-6H2,(H,23,24)(H4,18,19,20,21)
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Article
PubMed
7.40n/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))
BDBM16156
PNG
(4-({4-chloro-1-[(diaminomethylidene)amino]isoquino...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#8]-[#6]-[#6]1)[#6](-[#8])=O
Show InChI InChI=1S/C16H18ClN5O5S/c17-12-8-20-13(21-15(18)19)11-7-9(1-2-10(11)12)28(25,26)22-16(14(23)24)3-5-27-6-4-16/h1-2,7-8,22H,3-6H2,(H,23,24)(H4,18,19,20,21)
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Article
PubMed
4.10E+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))
BDBM16156
PNG
(4-({4-chloro-1-[(diaminomethylidene)amino]isoquino...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#8]-[#6]-[#6]1)[#6](-[#8])=O
Show InChI InChI=1S/C16H18ClN5O5S/c17-12-8-20-13(21-15(18)19)11-7-9(1-2-10(11)12)28(25,26)22-16(14(23)24)3-5-27-6-4-16/h1-2,7-8,22H,3-6H2,(H,23,24)(H4,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
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