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BDBM98599 (2S)-6-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxy-propanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide::US8476306, 8.1

SMILES: NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=JRGYHLAOYQDMNM-LEWJYISDSA-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 = 98599   
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


(Rattus norvegicus)
BDBM98599
PNG
((2S)-6-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H34N6O5S/c25-13-5-4-8-20(23(32)28-14-17-9-11-19(12-10-17)22(26)27)29-24(33)21(15-31)30-36(34,35)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,20-21,30-31H,4-5,8,13-16,25H2,(H3,26,27)(H,28,32)(H,29,33)/t20-,21+/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
6.80 -11.1n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Trypsin


Citation and Details
More data for this
Ligand-Target Pair
Plasminogen activator urokinase


(Rattus norvegicus)
BDBM98599
PNG
((2S)-6-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H34N6O5S/c25-13-5-4-8-20(23(32)28-14-17-9-11-19(12-10-17)22(26)27)29-24(33)21(15-31)30-36(34,35)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,20-21,30-31H,4-5,8,13-16,25H2,(H3,26,27)(H,28,32)(H,29,33)/t20-,21+/m0/s1
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KEGG

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PC sid
UniChem

Similars

US Patent
24 -10.4n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasminogen activator urokinase


Citation and Details
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM98599
PNG
((2S)-6-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H34N6O5S/c25-13-5-4-8-20(23(32)28-14-17-9-11-19(12-10-17)22(26)27)29-24(33)21(15-31)30-36(34,35)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,20-21,30-31H,4-5,8,13-16,25H2,(H3,26,27)(H,28,32)(H,29,33)/t20-,21+/m0/s1
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US Patent
360 -8.75n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Plasmin


Citation and Details
More data for this
Ligand-Target Pair
Thrombin


(Rattus norvegicus)
BDBM98599
PNG
((2S)-6-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H34N6O5S/c25-13-5-4-8-20(23(32)28-14-17-9-11-19(12-10-17)22(26)27)29-24(33)21(15-31)30-36(34,35)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,20-21,30-31H,4-5,8,13-16,25H2,(H3,26,27)(H,28,32)(H,29,33)/t20-,21+/m0/s1
PDB
MMDB

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UniChem

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US Patent
4.30E+3 -7.29n/an/an/an/an/an/a24



The Medicines Company

US Patent


Assay Description
Inhibition constant of the compound against Thrombin


Citation and Details
More data for this
Ligand-Target Pair