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BDBM50082193 3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-triisopropyl-benzenesulfonylamino)-propyl]-benzamidine::CHEMBL322830

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O

InChI Key: InChIKey=XQKLEMKEDSNHMG-UHFFFAOYNA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082193   
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
Trypsin II


(Bos taurus)
BDBM50082193
PNG
(3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Bioorg Med Chem Lett 9: 3147-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00541-7
BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50082193
PNG
(3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin


Bioorg Med Chem Lett 9: 3147-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00541-7
BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50082193
PNG
(3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.50E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasminogen activator urokinase (microPa)


Bioorg Med Chem Lett 9: 3147-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00541-7
BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair