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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Vitamin K-dependent protein C' and Ligand = 'BDBM50193243'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50193243
PNG
(({(R)-[2-(4-carbamimidoyl-benzylcarbamoyl)-indan-2...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C28H35N5O4/c29-25(30)20-12-10-18(11-13-20)16-32-27(37)28(14-21-8-4-5-9-22(21)15-28)33-26(36)24(31-17-23(34)35)19-6-2-1-3-7-19/h4-5,8-13,19,24,31H,1-3,6-7,14-17H2,(H3,29,30)(H,32,37)(H,33,36)(H,34,35)/t24-/m1/s1
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500n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of human APC using S-2366 as substrate


Bioorg Med Chem Lett 24: 821-7 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.094
BindingDB Entry DOI: 10.7270/Q2542Q3B
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193243
PNG
(({(R)-[2-(4-carbamimidoyl-benzylcarbamoyl)-indan-2...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C28H35N5O4/c29-25(30)20-12-10-18(11-13-20)16-32-27(37)28(14-21-8-4-5-9-22(21)15-28)33-26(36)24(31-17-23(34)35)19-6-2-1-3-7-19/h4-5,8-13,19,24,31H,1-3,6-7,14-17H2,(H3,29,30)(H,32,37)(H,33,36)(H,34,35)/t24-/m1/s1
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n/an/a 820n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193243
PNG
(({(R)-[2-(4-carbamimidoyl-benzylcarbamoyl)-indan-2...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C28H35N5O4/c29-25(30)20-12-10-18(11-13-20)16-32-27(37)28(14-21-8-4-5-9-22(21)15-28)33-26(36)24(31-17-23(34)35)19-6-2-1-3-7-19/h4-5,8-13,19,24,31H,1-3,6-7,14-17H2,(H3,29,30)(H,32,37)(H,33,36)(H,34,35)/t24-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.094
BindingDB Entry DOI: 10.7270/Q2542Q3B
More data for this
Ligand-Target Pair