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BDBM50138161 CHEMBL321466::N-{1-[(3-Aminomethyl-phenylcarbamoyl)-methyl]-2-oxo-azepan-3-yl}-3,3-diphenyl-propionamide

SMILES: NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1

InChI Key: InChIKey=XLHDYTQMNPVLMS-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50138161   
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
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50138161
PNG
(CHEMBL321466 | N-{1-[(3-Aminomethyl-phenylcarbamoy...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c31-20-22-10-9-15-25(18-22)32-29(36)21-34-17-8-7-16-27(30(34)37)33-28(35)19-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9-15,18,26-27H,7-8,16-17,19-21,31H2,(H,32,36)(H,33,35)
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PubMed
n/an/a>170n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human activated protein C (APC)


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


(Homo sapiens (human))
BDBM50138161
PNG
(CHEMBL321466 | N-{1-[(3-Aminomethyl-phenylcarbamoy...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c31-20-22-10-9-15-25(18-22)32-29(36)21-34-17-8-7-16-27(30(34)37)33-28(35)19-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9-15,18,26-27H,7-8,16-17,19-21,31H2,(H,32,36)(H,33,35)
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n/an/a>170n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human plasmin


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50138161
PNG
(CHEMBL321466 | N-{1-[(3-Aminomethyl-phenylcarbamoy...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c31-20-22-10-9-15-25(18-22)32-29(36)21-34-17-8-7-16-27(30(34)37)33-28(35)19-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9-15,18,26-27H,7-8,16-17,19-21,31H2,(H,32,36)(H,33,35)
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n/an/a>170n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human Coagulation factor X


Citation and Details
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50138161
PNG
(CHEMBL321466 | N-{1-[(3-Aminomethyl-phenylcarbamoy...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c31-20-22-10-9-15-25(18-22)32-29(36)21-34-17-8-7-16-27(30(34)37)33-28(35)19-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9-15,18,26-27H,7-8,16-17,19-21,31H2,(H,32,36)(H,33,35)
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n/an/a>170n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human trypsin


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138161
PNG
(CHEMBL321466 | N-{1-[(3-Aminomethyl-phenylcarbamoy...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c31-20-22-10-9-15-25(18-22)32-29(36)21-34-17-8-7-16-27(30(34)37)33-28(35)19-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9-15,18,26-27H,7-8,16-17,19-21,31H2,(H,32,36)(H,33,35)
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n/an/a>170n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human urokinase-type plasminogen activator


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


(Homo sapiens (Human))
BDBM50138161
PNG
(CHEMBL321466 | N-{1-[(3-Aminomethyl-phenylcarbamoy...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c31-20-22-10-9-15-25(18-22)32-29(36)21-34-17-8-7-16-27(30(34)37)33-28(35)19-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9-15,18,26-27H,7-8,16-17,19-21,31H2,(H,32,36)(H,33,35)
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PubMed
n/an/a>170n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human alpha-thrombin (FIIa)


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


(Homo sapiens (human))
BDBM50138161
PNG
(CHEMBL321466 | N-{1-[(3-Aminomethyl-phenylcarbamoy...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c31-20-22-10-9-15-25(18-22)32-29(36)21-34-17-8-7-16-27(30(34)37)33-28(35)19-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9-15,18,26-27H,7-8,16-17,19-21,31H2,(H,32,36)(H,33,35)
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PubMed
n/an/a>170n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human tissue type plasminogen activator


Citation and Details
More data for this
Ligand-Target Pair