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BDBM50147095 6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-naphthalene-2-carboxylic acid (3-cyclopentyloxy-phenyl)-amide::CHEMBL320233

SMILES: CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1

InChI Key: InChIKey=ONSBFNASIDWXPA-UHFFFAOYSA-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 = 50147095   
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))
BDBM50147095
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)27-15-21(17-36-27)26-14-20(12-18-10-11-19(28(30)31)13-25(18)26)29(33)32-22-6-5-9-24(16-22)37-23-7-3-4-8-23/h5-6,9-17,23H,2-4,7-8H2,1H3,(H3,30,31)(H,32,33)
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50147095
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)27-15-21(17-36-27)26-14-20(12-18-10-11-19(28(30)31)13-25(18)26)29(33)32-22-6-5-9-24(16-22)37-23-7-3-4-8-23/h5-6,9-17,23H,2-4,7-8H2,1H3,(H3,30,31)(H,32,33)
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50147095
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)27-15-21(17-36-27)26-14-20(12-18-10-11-19(28(30)31)13-25(18)26)29(33)32-22-6-5-9-24(16-22)37-23-7-3-4-8-23/h5-6,9-17,23H,2-4,7-8H2,1H3,(H3,30,31)(H,32,33)
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38n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against plasmin


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147095
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)27-15-21(17-36-27)26-14-20(12-18-10-11-19(28(30)31)13-25(18)26)29(33)32-22-6-5-9-24(16-22)37-23-7-3-4-8-23/h5-6,9-17,23H,2-4,7-8H2,1H3,(H3,30,31)(H,32,33)
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70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50147095
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)27-15-21(17-36-27)26-14-20(12-18-10-11-19(28(30)31)13-25(18)26)29(33)32-22-6-5-9-24(16-22)37-23-7-3-4-8-23/h5-6,9-17,23H,2-4,7-8H2,1H3,(H3,30,31)(H,32,33)
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610n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50147095
PNG
(6-Carbamimidoyl-4-(5-ethanesulfonyl-furan-3-yl)-na...)
Show SMILES CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)27-15-21(17-36-27)26-14-20(12-18-10-11-19(28(30)31)13-25(18)26)29(33)32-22-6-5-9-24(16-22)37-23-7-3-4-8-23/h5-6,9-17,23H,2-4,7-8H2,1H3,(H3,30,31)(H,32,33)
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1.60E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair