BindingDB logo
myBDB logout

3 similar compounds to monomer 50142435

Compile data set for download or QSAR
Wt: 318.3
BDBM50138662
Wt: 165.2
BDBM50150945
Wt: 443.5
BDBM50146170

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50138662,50150945,50146170   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50150945
PNG
(CHEBI:81390 | IMMEPIP | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
0.479n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 810-40 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human urokinase-type plasminogen activator (microPa).


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
PubMed
40 -10.1n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
D3R
40n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
40n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin-1


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.08E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against porcine trypsin was determined.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
7.17E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human plasma kallikrein.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins ...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human plasmin.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.84E+4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant tPA using H-D-Ile-Pro-Arg-pNA.2HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by sp...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.84E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Tissue type plasminogen activator.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human alpha thrombin.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>6.20E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>6.20E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant tPA using H-D-Ile-Pro-Arg-pNA.2HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by sp...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>6.20E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins ...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens (Human))
BDBM50146170
PNG
(CHEMBL3763793)
Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CCCCC1
Show InChI InChI=1S/C27H29N3O3/c31-26(19-29-16-6-7-17-29)30-24-11-5-4-8-20(24)12-13-21-14-15-22(18-25(21)30)28-27(32)33-23-9-2-1-3-10-23/h4-8,11,14-18,23H,1-3,9-10,12-13,19H2,(H,28,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)