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3 similar compounds to monomer 50189937

Compile data set for download or QSAR
Wt: 522.5
BDBM50189939
Wt: 463.5
BDBM50189940
Wt: 564.6
BDBM50189941

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50189939,50189940,50189941   
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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50189939
PNG
(5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-6-hydrox...)
Show SMILES Nc1nccc2[nH]c(cc12)-c1cc(cc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O)C(O)=O
Show InChI InChI=1S/C30H26N4O5/c31-28-23-15-25(34-24(23)9-10-32-28)22-14-20(30(38)39)13-21(27(22)36)19-8-4-7-18(11-19)16-33-29(37)26(35)12-17-5-2-1-3-6-17/h1-11,13-15,26,34-36H,12,16H2,(H2,31,32)(H,33,37)(H,38,39)/t26-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to f7a/TF complex


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50189941
PNG
(2-{5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-6-hyd...)
Show SMILES CC(C)(C(O)=O)c1cc(-c2cc3c(N)nccc3[nH]2)c(O)c(c1)-c1cccc(CNC(=O)[C@@H](O)Cc2ccccc2)c1
Show InChI InChI=1S/C33H32N4O5/c1-33(2,32(41)42)22-15-23(29(39)24(16-22)27-17-25-26(37-27)11-12-35-30(25)34)21-10-6-9-20(13-21)18-36-31(40)28(38)14-19-7-4-3-5-8-19/h3-13,15-17,28,37-39H,14,18H2,1-2H3,(H2,34,35)(H,36,40)(H,41,42)/t28-/m0/s1
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15n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to f7a/TF complex


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50189940
PNG
((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...)
Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1
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220n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to f7a/TF complex


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50189940
PNG
((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...)
Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to f10a


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50189940
PNG
((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...)
Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1
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UniProtKB/SwissProt

GoogleScholar
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UniChem

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Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Bioorg Med Chem Lett 16: 4567-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.016
BindingDB Entry DOI: 10.7270/Q2NG4Q67
More data for this
Ligand-Target Pair