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3 similar compounds to monomer 50201420

Compile data set for download or QSAR
Wt: 678.7
BDBM50201419
Wt: 664.7
BDBM50201421
Wt: 676.7
BDBM50201417

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50201419,50201421,50201417   
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))
BDBM50201417
PNG
(CHEMBL3902535)
Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(C)c[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C35H40N4O8S/c1-20(2)48(43,44)31-14-11-24(38-35(42)47-6)18-27(31)28-8-7-15-39(28)34(41)32(22-9-13-29(45-4)30(16-22)46-5)37-23-10-12-25-21(3)19-36-33(40)26(25)17-23/h9-14,16-20,28,32,37H,7-8,15H2,1-6H3,(H,36,40)(H,38,42)/t28-,32-/m1/s1
PDB

KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
93n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R & D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins


ACS Med Chem Lett 7: 1077-1081 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201419
PNG
(CHEMBL3953609)
Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2[C@H](C)CNC(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C35H42N4O8S/c1-20(2)48(43,44)31-14-11-24(38-35(42)47-6)18-27(31)28-8-7-15-39(28)34(41)32(22-9-13-29(45-4)30(16-22)46-5)37-23-10-12-25-21(3)19-36-33(40)26(25)17-23/h9-14,16-18,20-21,28,32,37H,7-8,15,19H2,1-6H3,(H,36,40)(H,38,42)/t21-,28-,32-/m1/s1
PDB

KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R & D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins


ACS Med Chem Lett 7: 1077-1081 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50201421
PNG
(CHEMBL3934811)
Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2c(C)c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C34H40N4O8S/c1-19(2)47(42,43)30-12-10-22(37-34(41)46-6)16-25(30)27-8-7-13-38(27)33(40)31(21-9-11-28(44-4)29(15-21)45-5)36-23-14-20(3)26-18-35-32(39)24(26)17-23/h9-12,14-17,19,27,31,36H,7-8,13,18H2,1-6H3,(H,35,39)(H,37,41)/t27-,31-/m1/s1
PDB

KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R & D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins


ACS Med Chem Lett 7: 1077-1081 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00282
BindingDB Entry DOI: 10.7270/Q2GB2613
More data for this
Ligand-Target Pair