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BDBM50147089 6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthalene-2-carboxylic acid (3-isopropoxy-phenyl)-amide::CHEMBL421214

SMILES: CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1

InChI Key: InChIKey=HLWKBMWAJJZWIT-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 = 50147089   
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))
BDBM50147089
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C25H27N3O3/c1-15(2)31-21-5-3-4-20(13-21)28-25(29)19-10-16-6-7-17(24(26)27)11-22(16)23(12-19)18-8-9-30-14-18/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H3,26,27)(H,28,29)
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8.5n/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)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50147089
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C25H27N3O3/c1-15(2)31-21-5-3-4-20(13-21)28-25(29)19-10-16-6-7-17(24(26)27)11-22(16)23(12-19)18-8-9-30-14-18/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H3,26,27)(H,28,29)
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12n/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)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50147089
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C25H27N3O3/c1-15(2)31-21-5-3-4-20(13-21)28-25(29)19-10-16-6-7-17(24(26)27)11-22(16)23(12-19)18-8-9-30-14-18/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H3,26,27)(H,28,29)
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130n/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)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50147089
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C25H27N3O3/c1-15(2)31-21-5-3-4-20(13-21)28-25(29)19-10-16-6-7-17(24(26)27)11-22(16)23(12-19)18-8-9-30-14-18/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H3,26,27)(H,28,29)
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190n/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)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147089
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C25H27N3O3/c1-15(2)31-21-5-3-4-20(13-21)28-25(29)19-10-16-6-7-17(24(26)27)11-22(16)23(12-19)18-8-9-30-14-18/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H3,26,27)(H,28,29)
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300n/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)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50147089
PNG
(6-Carbamimidoyl-4-(tetrahydro-furan-3-yl)-naphthal...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C25H27N3O3/c1-15(2)31-21-5-3-4-20(13-21)28-25(29)19-10-16-6-7-17(24(26)27)11-22(16)23(12-19)18-8-9-30-14-18/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H3,26,27)(H,28,29)
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1.10E+3n/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)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair