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BDBM50148952 CHEMBL429152::N-[4-(1-{2-[3-(4-Carbamimidoyl-phenyl)-ureido]-acetylamino}-ethyl)-phenyl]-3-phenoxy-benzamide

SMILES: CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1

InChI Key: InChIKey=IJYZMCPKJNTQOS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50148952   
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
Coagulation factor VII


(Homo sapiens (Human))
BDBM50148952
PNG
(CHEMBL429152 | N-[4-(1-{2-[3-(4-Carbamimidoyl-phen...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H30N6O4/c1-20(35-28(38)19-34-31(40)37-25-16-12-22(13-17-25)29(32)33)21-10-14-24(15-11-21)36-30(39)23-6-5-9-27(18-23)41-26-7-3-2-4-8-26/h2-18,20H,19H2,1H3,(H3,32,33)(H,35,38)(H,36,39)(H2,34,37,40)
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12n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor VIIa


Bioorg Med Chem Lett 14: 3715-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50148952
PNG
(CHEMBL429152 | N-[4-(1-{2-[3-(4-Carbamimidoyl-phen...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H30N6O4/c1-20(35-28(38)19-34-31(40)37-25-16-12-22(13-17-25)29(32)33)21-10-14-24(15-11-21)36-30(39)23-6-5-9-27(18-23)41-26-7-3-2-4-8-26/h2-18,20H,19H2,1H3,(H3,32,33)(H,35,38)(H,36,39)(H2,34,37,40)
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor X


Bioorg Med Chem Lett 14: 3715-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50148952
PNG
(CHEMBL429152 | N-[4-(1-{2-[3-(4-Carbamimidoyl-phen...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H30N6O4/c1-20(35-28(38)19-34-31(40)37-25-16-12-22(13-17-25)29(32)33)21-10-14-24(15-11-21)36-30(39)23-6-5-9-27(18-23)41-26-7-3-2-4-8-26/h2-18,20H,19H2,1H3,(H3,32,33)(H,35,38)(H,36,39)(H2,34,37,40)
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PubMed
3.32E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibition of thrombin


Bioorg Med Chem Lett 14: 3715-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T
More data for this
Ligand-Target Pair