new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1466 hits with Last Name = 'glunz' and Initial = 'pw'   
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
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192770
PNG
(CHEMBL3956096)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCCCC1)C(O)=O |r|
Show InChI InChI=1/C37H40FN5O5/c1-21-15-23-7-10-27(21)22(2)20-48-36(47)42-25-9-12-30(37(35(45)46)13-5-4-6-14-37)24(16-25)19-43(3)34(44)32(23)41-26-8-11-28-29(17-26)31(38)18-40-33(28)39/h7-12,15-18,22,32,41H,4-6,13-14,19-20H2,1-3H3,(H2,39,40)(H,42,47)(H,45,46)/t22-,32+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192768
PNG
(CHEMBL3900166)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCC1)C(O)=O |r|
Show InChI InChI=1/C35H36FN5O5/c1-19-13-21-5-8-25(19)20(2)18-46-34(45)40-23-7-10-28(35(33(43)44)11-4-12-35)22(14-23)17-41(3)32(42)30(21)39-24-6-9-26-27(15-24)29(36)16-38-31(26)37/h5-10,13-16,20,30,39H,4,11-12,17-18H2,1-3H3,(H2,37,38)(H,40,45)(H,43,44)/t20-,30+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189445
PNG
(US9174974, Example 31)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H35N5O5S/c1-19-14-22-4-9-27(19)20(2)18-43-33(40)37-25-6-11-29(44(41,42)26-7-8-26)23(16-25)17-38(3)32(39)30(22)36-24-5-10-28-21(15-24)12-13-35-31(28)34/h4-6,9-16,20,26,30,36H,7-8,17-18H2,1-3H3,(H2,34,35)(H,37,40)/t20-,30+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human TF-factor 7a (366 to 11 residues) using factor 10 as substrate after 60 mins


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189445
PNG
(US9174974, Example 31)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H35N5O5S/c1-19-14-22-4-9-27(19)20(2)18-43-33(40)37-25-6-11-29(44(41,42)26-7-8-26)23(16-25)17-38(3)32(39)30(22)36-24-5-10-28-21(15-24)12-13-35-31(28)34/h4-6,9-16,20,26,30,36H,7-8,17-18H2,1-3H3,(H2,34,35)(H,37,40)/t20-,30+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192767
PNG
(CHEMBL3984725)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCCC1)C(O)=O |r|
Show InChI InChI=1/C36H38FN5O5/c1-20-14-22-6-9-26(20)21(2)19-47-35(46)41-24-8-11-29(36(34(44)45)12-4-5-13-36)23(15-24)18-42(3)33(43)31(22)40-25-7-10-27-28(16-25)30(37)17-39-32(27)38/h6-11,14-17,21,31,40H,4-5,12-13,18-19H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t21-,31+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189441
PNG
(US9174974, Example 26)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3cc4ccnc(N)c4cc3F)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-18-12-21-4-8-25(18)19(2)17-44-33(41)37-23-5-9-29(45(42,43)24-6-7-24)22(13-23)16-39(3)32(40)30(21)38-28-14-20-10-11-36-31(35)26(20)15-27(28)34/h4-5,8-15,19,24,30,38H,6-7,16-17H2,1-3H3,(H2,35,36)(H,37,41)/t19-,30+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50191346
PNG
(CHEMBL3978562)
Show SMILES CCOP(O)(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C32H36N5O6P/c1-5-43-44(40,41)28-11-8-25-16-23(28)17-37(4)31(38)29(35-24-7-10-27-21(15-24)12-13-34-30(27)33)22-6-9-26(19(2)14-22)20(3)18-42-32(39)36-25/h6-16,20,29,35H,5,17-18H2,1-4H3,(H2,33,34)(H,36,39)(H,40,41)/t20-,29+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14714
PNG
((2R)-N-[(3-aminobenzene)sulfonyl]-2-[(4-carbamimid...)
Show SMILES CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1 |r|
Show InChI InChI=1S/C25H28FN5O6S/c1-3-36-16-12-19(22(26)21(13-16)37-4-2)23(30-15-8-9-18(24(28)29)20(32)11-15)25(33)31-38(34,35)17-7-5-6-14(27)10-17/h5-13,23,30,32H,3-4,27H2,1-2H3,(H3,28,29)(H,31,33)/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189434
PNG
(US9174974, Example 19)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-18-12-20-4-9-25(18)19(2)17-44-33(41)38-22-6-11-29(45(42,43)24-7-8-24)21(13-22)16-39(3)32(40)30(20)37-23-5-10-26-27(14-23)28(34)15-36-31(26)35/h4-6,9-15,19,24,30,37H,7-8,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192771
PNG
(CHEMBL3898371)
Show SMILES [H][C@]1(C)COC(=O)Nc2ccc(c(CN(C)C(=O)[C@]([H])(Nc3ccc4c(c3)c(F)c[nH]c4=N)c3ccc1c(C)c3)c2)C1(CC1)C(O)=O |r|
Show InChI InChI=1/C34H34FN5O5/c1-18-12-20-4-7-24(18)19(2)17-45-33(44)39-22-6-9-27(34(10-11-34)32(42)43)21(13-22)16-40(3)31(41)29(20)38-23-5-8-25-26(14-23)28(35)15-37-30(25)36/h4-9,12-15,19,29,38H,10-11,16-17H2,1-3H3,(H2,36,37)(H,39,44)(H,42,43)/t19-,29+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189429
PNG
(US9174974, Example 14)
Show SMILES CCN(CC)C(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C35H40N6O4/c1-6-41(7-2)33(42)30-13-10-27-18-25(30)19-40(5)34(43)31(38-26-9-12-29-23(17-26)14-15-37-32(29)36)24-8-11-28(21(3)16-24)22(4)20-45-35(44)39-27/h8-18,22,31,38H,6-7,19-20H2,1-5H3,(H2,36,37)(H,39,44)/t22-,31+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189427
PNG
(US9174974, Example 12)
Show SMILES CCOP(=O)(OCC)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C34H40N5O6P/c1-6-44-46(42,45-7-2)30-13-10-27-18-25(30)19-39(5)33(40)31(37-26-9-12-29-23(17-26)14-15-36-32(29)35)24-8-11-28(21(3)16-24)22(4)20-43-34(41)38-27/h8-18,22,31,37H,6-7,19-20H2,1-5H3,(H2,35,36)(H,38,41)/t22-,31+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.610n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192766
PNG
(CHEMBL3967204)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CC1)c1nnn[nH]1 |r|
Show InChI InChI=1/C34H34FN9O3/c1-18-12-20-4-7-24(18)19(2)17-47-33(46)39-22-6-9-27(34(10-11-34)32-40-42-43-41-32)21(13-22)16-44(3)31(45)29(20)38-23-5-8-25-26(14-23)28(35)15-37-30(25)36/h4-9,12-15,19,29,38H,10-11,16-17H2,1-3H3,(H2,36,37)(H,39,46)(H,40,41,42,43)/t19-,29+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.720n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50440849
PNG
(CHEMBL2431588)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N4O5S/c1-4-34-23-16-19(12-15-22(23)35-17(2)3)24(29-20-13-10-18(11-14-20)25(27)28)26(31)30-36(32,33)21-8-6-5-7-9-21/h5-17,24,29H,4H2,1-3H3,(H3,27,28)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50191351
PNG
(CHEMBL3909009)
Show SMILES [H][C@]1(C)COC(=O)Nc2ccc(c(CN(C)C(=O)[C@]([H])(Nc3cc(F)c4c(cc[nH]c4=N)c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-18-12-21-4-8-26(18)19(2)17-44-33(41)38-23-5-9-28(45(42,43)25-6-7-25)22(14-23)16-39(3)32(40)30(21)37-24-13-20-10-11-36-31(35)29(20)27(34)15-24/h4-5,8-15,19,25,30,37H,6-7,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440849
PNG
(CHEMBL2431588)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N4O5S/c1-4-34-23-16-19(12-15-22(23)35-17(2)3)24(29-20-13-10-18(11-14-20)25(27)28)26(31)30-36(32,33)21-8-6-5-7-9-21/h5-17,24,29H,4H2,1-3H3,(H3,27,28)(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50172757
PNG
(CHEMBL3808801)
Show SMILES CN1Cc2cccc(NC(=O)OCC(C)(C)c3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)c2 |r|
Show InChI InChI=1/C30H31N5O3/c1-30(2)18-38-29(37)34-23-6-4-5-19(15-23)17-35(3)28(36)26(20-7-9-22(30)10-8-20)33-24-11-12-25-21(16-24)13-14-32-27(25)31/h4-16,26,33H,17-18H2,1-3H3,(H2,31,32)(H,34,37)/t26-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Tissue factor/factor 7a using S2288 as substrate after 30 to 60 mins


J Med Chem 59: 4007-18 (2016)


BindingDB Entry DOI: 10.7270/Q2B56MNP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50172786
PNG
(CHEMBL3809909)
Show SMILES CC1(C)COC(=O)Nc2cccc(CNC(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
Show InChI InChI=1/C29H29N5O3/c1-29(2)17-37-28(36)34-22-5-3-4-18(14-22)16-32-27(35)25(19-6-8-21(29)9-7-19)33-23-10-11-24-20(15-23)12-13-31-26(24)30/h3-15,25,33H,16-17H2,1-2H3,(H2,30,31)(H,32,35)(H,34,36)/t25-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Tissue factor/factor 7a using S2288 as substrate after 30 to 60 mins


J Med Chem 59: 4007-18 (2016)


BindingDB Entry DOI: 10.7270/Q2B56MNP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50098595
PNG
(CHEMBL3594314)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
Show InChI InChI=1/C31H33N5O4S/c1-3-41(39,40)27-12-10-24-17-23(27)18-34-31(38)29(36-25-9-11-26-21(16-25)13-14-33-30(26)32)22-8-7-20(19(2)15-22)5-4-6-28(37)35-24/h7-17,29,36H,3-6,18H2,1-2H3,(H2,32,33)(H,34,38)(H,35,37)/t29-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human Tissue factor/factor 7a


J Med Chem 59: 4007-18 (2016)


BindingDB Entry DOI: 10.7270/Q2B56MNP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068982
PNG
(CHEMBL3403479)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(N)=O
Show InChI InChI=1/C29H31FN6O3/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(35-18-11-9-17(10-12-18)27(31)32)29-34-15-23(36-29)20-7-5-6-8-21(20)28(33)37/h5-16,26,35H,4H2,1-3H3,(H3,31,32)(H2,33,37)(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192769
PNG
(CHEMBL3976650)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C33H35N5O3/c1-19-14-23-6-9-27(19)20(2)18-41-33(40)37-26-7-10-28(21-4-5-21)24(16-26)17-38(3)32(39)30(23)36-25-8-11-29-22(15-25)12-13-35-31(29)34/h6-16,20-21,30,36H,4-5,17-18H2,1-3H3,(H2,34,35)(H,37,40)/t20-,30+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human TF-factor 7a (366 to 11 residues) using factor 10 as substrate after 60 mins


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50191344
PNG
(CHEMBL3951940)
Show SMILES C[C@H]1COC(=O)Nc2ccc(-c3ccnn3C)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C34H35N7O3/c1-20-15-23-5-8-27(20)21(2)19-44-34(43)39-26-6-9-28(30-12-14-37-41(30)4)24(17-26)18-40(3)33(42)31(23)38-25-7-10-29-22(16-25)11-13-36-32(29)35/h5-17,21,31,38H,18-19H2,1-4H3,(H2,35,36)(H,39,43)/t21-,31+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189416
PNG
(US9174974, Example 1)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C(=O)N(C)C)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C33H36N6O4/c1-19-14-22-6-9-26(19)20(2)18-43-33(42)37-25-8-11-28(31(40)38(3)4)23(16-25)17-39(5)32(41)29(22)36-24-7-10-27-21(15-24)12-13-35-30(27)34/h6-16,20,29,36H,17-18H2,1-5H3,(H2,34,35)(H,37,42)/t20-,29+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440822
PNG
(CHEMBL2431602)
Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C28H31N5O7S2/c1-4-39-25-15-19(8-11-24(25)40-17(2)3)26(32-20-9-10-23-18(14-20)12-13-31-27(23)29)28(34)33-42(37,38)22-7-5-6-21(16-22)41(30,35)36/h5-17,26,32H,4H2,1-3H3,(H2,29,31)(H,33,34)(H2,30,35,36)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50172726
PNG
(CHEMBL3809352)
Show SMILES C[C@@H]1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
Show InChI InChI=1/C28H27N5O3/c1-17-16-36-28(35)33-22-4-2-3-18(13-22)15-31-27(34)25(20-7-5-19(17)6-8-20)32-23-9-10-24-21(14-23)11-12-30-26(24)29/h2-14,17,25,32H,15-16H2,1H3,(H2,29,30)(H,31,34)(H,33,35)/t17-,25?/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of purified human tissue kallikrein 1 using H-D-Val-Leu-Arg-AFC as substrate


J Med Chem 59: 4007-18 (2016)


BindingDB Entry DOI: 10.7270/Q2B56MNP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242359
PNG
(CHEMBL4083729)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192765
PNG
(CHEMBL3895930)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCOCC1)C(O)=O |r|
Show InChI InChI=1/C36H38FN5O6/c1-20-14-22-4-7-26(20)21(2)19-48-35(46)41-24-6-9-29(36(34(44)45)10-12-47-13-11-36)23(15-24)18-42(3)33(43)31(22)40-25-5-8-27-28(16-25)30(37)17-39-32(27)38/h4-9,14-17,21,31,40H,10-13,18-19H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t21-,31+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068985
PNG
(CHEMBL3403477)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O
Show InChI InChI=1/C30H32FN5O3/c1-5-38-21-14-24(27(31)26(15-21)39-17(2)3)28(35-20-12-10-19(11-13-20)29(32)33)30-34-16-25(36-30)23-9-7-6-8-22(23)18(4)37/h6-17,28,35H,5H2,1-4H3,(H3,32,33)(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50191350
PNG
(CHEMBL3935309)
Show SMILES C[C@H]1COC(=O)Nc2ccc(OC(F)(F)F)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C31H30F3N5O4/c1-17-12-20-4-7-24(17)18(2)16-42-30(41)38-23-6-9-26(43-31(32,33)34)21(14-23)15-39(3)29(40)27(20)37-22-5-8-25-19(13-22)10-11-36-28(25)35/h4-14,18,27,37H,15-16H2,1-3H3,(H2,35,36)(H,38,41)/t18-,27+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
5.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50172727
PNG
(CHEMBL3808853)
Show SMILES CC1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2
Show InChI InChI=1/C28H27N5O3/c1-17-16-36-28(35)33-22-4-2-3-18(13-22)15-31-27(34)25(20-7-5-19(17)6-8-20)32-23-9-10-24-21(14-23)11-12-30-26(24)29/h2-14,17,25,32H,15-16H2,1H3,(H2,29,30)(H,31,34)(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of purified human tissue kallikrein 1 using H-D-Val-Leu-Arg-AFC as substrate


J Med Chem 59: 4007-18 (2016)


BindingDB Entry DOI: 10.7270/Q2B56MNP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440843
PNG
(CHEMBL2431614)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1S(=O)(=O)CC
Show InChI InChI=1S/C30H33N3O7S2/c1-5-39-26-18-22(12-14-25(26)40-20(3)4)29(32-24-13-11-23-19-31-16-15-21(23)17-24)30(34)33-42(37,38)28-10-8-7-9-27(28)41(35,36)6-2/h7-20,29,32H,5-6H2,1-4H3,(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068983
PNG
(CHEMBL3400183)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(O)=O
Show InChI InChI=1/C29H30FN5O4/c1-4-38-19-13-22(25(30)24(14-19)39-16(2)3)26(34-18-11-9-17(10-12-18)27(31)32)28-33-15-23(35-28)20-7-5-6-8-21(20)29(36)37/h5-16,26,34H,4H2,1-3H3,(H3,31,32)(H,33,35)(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440846
PNG
(CHEMBL2431603)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H30N4O6S/c1-4-37-25-16-19(5-12-24(25)38-17(2)3)26(28(34)32-39(35,36)22-9-7-21(33)8-10-22)31-20-6-11-23-18(15-20)13-14-30-27(23)29/h5-17,26,31,33H,4H2,1-3H3,(H2,29,30)(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50098599
PNG
(CHEMBL3594310)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
Show InChI InChI=1/C30H31N5O4S/c1-2-40(38,39)26-13-11-23-17-22(26)18-33-30(37)28(20-8-6-19(7-9-20)4-3-5-27(36)34-23)35-24-10-12-25-21(16-24)14-15-32-29(25)31/h6-17,28,35H,2-5,18H2,1H3,(H2,31,32)(H,33,37)(H,34,36)/t28-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human Tissue factor/factor 7a


J Med Chem 59: 4007-18 (2016)


BindingDB Entry DOI: 10.7270/Q2B56MNP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50191345
PNG
(CHEMBL3942944)
Show SMILES COC(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C32H33N5O5/c1-18-13-21-5-8-25(18)19(2)17-42-32(40)36-24-7-10-27(31(39)41-4)22(15-24)16-37(3)30(38)28(21)35-23-6-9-26-20(14-23)11-12-34-29(26)33/h5-15,19,28,35H,16-17H2,1-4H3,(H2,33,34)(H,36,40)/t19-,28+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440848
PNG
(CHEMBL2431604)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C28H31N5O5S/c1-4-37-25-16-19(5-12-24(25)38-17(2)3)26(28(34)33-39(35,36)22-9-6-20(29)7-10-22)32-21-8-11-23-18(15-21)13-14-31-27(23)30/h5-17,26,32H,4,29H2,1-3H3,(H2,30,31)(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (Human))
BDBM50242363
PNG
(CHEMBL4095879)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2650-2654 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.008
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440847
PNG
(CHEMBL2431595)
Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H30N4O5S/c1-4-36-25-17-20(10-13-24(25)37-18(2)3)26(28(33)32-38(34,35)22-8-6-5-7-9-22)31-21-11-12-23-19(16-21)14-15-30-27(23)29/h5-18,26,31H,4H2,1-3H3,(H2,29,30)(H,32,33)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
9.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068989
PNG
(CHEMBL3403474)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1OC
Show InChI InChI=1/C29H32FN5O3/c1-5-37-20-14-22(26(30)25(15-20)38-17(2)3)27(34-19-12-10-18(11-13-19)28(31)32)29-33-16-23(35-29)21-8-6-7-9-24(21)36-4/h6-17,27,34H,5H2,1-4H3,(H3,31,32)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440822
PNG
(CHEMBL2431602)
Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C28H31N5O7S2/c1-4-39-25-15-19(8-11-24(25)40-17(2)3)26(32-20-9-10-23-18(14-20)12-13-31-27(23)29)28(34)33-42(37,38)22-7-5-6-21(16-22)41(30,35)36/h5-17,26,32H,4H2,1-3H3,(H2,29,31)(H,33,34)(H2,30,35,36)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068996
PNG
(CHEMBL3403467)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C28H30FN5O2/c1-4-35-21-14-22(25(29)24(15-21)36-17(2)3)26(33-20-12-10-19(11-13-20)27(30)31)28-32-16-23(34-28)18-8-6-5-7-9-18/h5-17,26,33H,4H2,1-3H3,(H3,30,31)(H,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440845
PNG
(CHEMBL2431611)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C29H31N3O7S2/c1-5-38-25-17-21(11-13-24(25)39-19(2)3)28(31-23-12-10-22-18-30-15-14-20(22)16-23)29(33)32-41(36,37)27-9-7-6-8-26(27)40(4,34)35/h6-19,28,31H,5H2,1-4H3,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068984
PNG
(CHEMBL3403478)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(=O)OC
Show InChI InChI=1/C30H32FN5O4/c1-5-39-20-14-23(26(31)25(15-20)40-17(2)3)27(35-19-12-10-18(11-13-19)28(32)33)29-34-16-24(36-29)21-8-6-7-9-22(21)30(37)38-4/h6-17,27,35H,5H2,1-4H3,(H3,32,33)(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM50192764
PNG
(CHEMBL3934882)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C33H34FN5O3/c1-18-12-21-6-9-25(18)19(2)17-42-33(41)38-23-7-10-26(20-4-5-20)22(13-23)16-39(3)32(40)30(21)37-24-8-11-27-28(14-24)29(34)15-36-31(27)35/h6-15,19-20,30,37H,4-5,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein1 at 37 degC by chromogenic substrate assay


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50068995
PNG
(CHEMBL3403468)
Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(cn1C)-c1ccccc1
Show InChI InChI=1/C29H32FN5O2/c1-5-36-22-15-23(26(30)25(16-22)37-18(2)3)27(33-21-13-11-20(12-14-21)28(31)32)29-34-24(17-35(29)4)19-9-7-6-8-10-19/h6-18,27,33H,5H2,1-4H3,(H3,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
BindingDB Entry DOI: 10.7270/Q2GQ70FP
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50191349
PNG
(CHEMBL3926417)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C(N)=O)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C31H32N6O4/c1-17-12-20-4-7-24(17)18(2)16-41-31(40)36-23-6-9-26(29(33)38)21(14-23)15-37(3)30(39)27(20)35-22-5-8-25-19(13-22)10-11-34-28(25)32/h4-14,18,27,35H,15-16H2,1-3H3,(H2,32,34)(H2,33,38)(H,36,40)/t18-,27+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)


BindingDB Entry DOI: 10.7270/Q2TM7D37
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440825
PNG
(CHEMBL2431589)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30N4O5S/c1-4-36-25-17-20(10-13-24(25)37-18(2)3)26(28(33)32-38(34,35)22-8-6-5-7-9-22)31-21-11-12-23-19(16-21)14-15-30-27(23)29/h5-18,26,31H,4H2,1-3H3,(H2,29,30)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440842
PNG
(CHEMBL2431609)
Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O |r|
Show InChI InChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)/t27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192764
PNG
(CHEMBL3934882)
Show SMILES C[C@H]1COC(=O)Nc2ccc(C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C33H34FN5O3/c1-18-12-21-6-9-25(18)19(2)17-42-33(41)38-23-7-10-26(20-4-5-20)22(13-23)16-39(3)32(40)30(21)37-24-8-11-27-28(14-24)29(34)15-36-31(27)35/h6-15,19-20,30,37H,4-5,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440841
PNG
(CHEMBL2431598)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H31N5O6S/c1-4-39-25-16-19(8-11-24(25)40-17(2)3)26(33-21-9-10-23-18(14-21)12-13-32-27(23)30)29(36)34-41(37,38)22-7-5-6-20(15-22)28(31)35/h5-17,26,33H,4H2,1-3H3,(H2,30,32)(H2,31,35)(H,34,36)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1466 total )  |  Next  |  Last  >>
Jump to: