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BDBM98602 3-amino-N-[4-[[2-[[(2R)-3-amino-2-(benzylsulfonylamino)propanoyl]amino]acetyl]amino]phenyl]-4-methoxy-benzamide::US8476306, 11

SMILES: NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=GQVFTAXOXBLSOQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 98602   
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
Plasminogen activator urokinase


(Rattus norvegicus)
BDBM98602
PNG
(3-amino-N-[4-[[2-[[(2R)-3-amino-2-(benzylsulfonyla...)
Show SMILES NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C20H26N6O4S/c21-17(11-26-31(29,30)13-15-4-2-1-3-5-15)20(28)25-12-18(27)24-10-14-6-8-16(9-7-14)19(22)23/h1-9,17,26H,10-13,21H2,(H3,22,23)(H,24,27)(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
180 -9.16n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasminogen activator urokinase


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Trypsin


(Rattus norvegicus)
BDBM98602
PNG
(3-amino-N-[4-[[2-[[(2R)-3-amino-2-(benzylsulfonyla...)
Show SMILES NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C20H26N6O4S/c21-17(11-26-31(29,30)13-15-4-2-1-3-5-15)20(28)25-12-18(27)24-10-14-6-8-16(9-7-14)19(22)23/h1-9,17,26H,10-13,21H2,(H3,22,23)(H,24,27)(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
180 -9.16n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Trypsin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM98602
PNG
(3-amino-N-[4-[[2-[[(2R)-3-amino-2-(benzylsulfonyla...)
Show SMILES NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C20H26N6O4S/c21-17(11-26-31(29,30)13-15-4-2-1-3-5-15)20(28)25-12-18(27)24-10-14-6-8-16(9-7-14)19(22)23/h1-9,17,26H,10-13,21H2,(H3,22,23)(H,24,27)(H,25,28)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
9.60E+3 -6.82n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair
Thrombin


(Rattus norvegicus)
BDBM98602
PNG
(3-amino-N-[4-[[2-[[(2R)-3-amino-2-(benzylsulfonyla...)
Show SMILES NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C20H26N6O4S/c21-17(11-26-31(29,30)13-15-4-2-1-3-5-15)20(28)25-12-18(27)24-10-14-6-8-16(9-7-14)19(22)23/h1-9,17,26H,10-13,21H2,(H3,22,23)(H,24,27)(H,25,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.00E+4 -6.79n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Thrombin


US Patent US8476306 (2013)


BindingDB Entry DOI: 10.7270/Q2154FPH
More data for this
Ligand-Target Pair