BindingDB logo
myBDB logout

BDBM50257512 (S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonamido)-3-(3-carbamimidoylphenyl)propanoyl)piperidin-4-yl)-N-methylbutanamide::CHEMBL444411::US8569313, 32

SMILES: CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1

InChI Key: InChIKey=HWNRARJHWWELBD-VWLOTQADSA-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 = 50257512   
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
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257512
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
6.30n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition assay using matriptase enzyme


US Patent US8569313 (2013)


BindingDB Entry DOI: 10.7270/Q2639ND5
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257512
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50257512
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
850n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50257512
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50257512
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of uPA (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50257512
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair