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BDBM50029510 1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-butylcarbamoyl]-1-azetanyl}-1-methyl-2-oxo-1-phenyl-(1R)-ethyl]-benzyloxy carbamide::CHEMBL342611

InChI string: InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1

SMILES: CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1

InChI Key: InChIKey=GRHRCQRYZFILJK-OKZBNKHCSA-N

Data: 5 IC50

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 5 hits for monomerid = 50029510   
Target
(Institution)
LigandTarget
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
Thrombin


(Bos taurus (Bovine))
BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB
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PC sid
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PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).


J Med Chem 38: 4446-53 (1995)

More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
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KEGG

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PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a 11n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin


J Med Chem 38: 4446-53 (1995)

More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB
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PC sid
UniChem

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AffyNet 
PubMed
n/an/a 270n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X


J Med Chem 38: 4446-53 (1995)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB
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NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 150n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin


J Med Chem 38: 4446-53 (1995)

More data for this
Ligand-Target Pair