BindingDB logo
myBDB logout

13 similar compounds to monomer 19002

Compile data set for download or QSAR
Wt: 562.5
BDBM12743
Wt: 537.6
BDBM18991
Wt: 551.6
BDBM18992
Wt: 565.6
BDBM18993
Wt: 519.5
BDBM18994
Wt: 562.6
BDBM19001
Wt: 575.6
BDBM19003
Wt: 575.6
BDBM19004
Wt: 576.6
BDBM19005
Wt: 576.6
BDBM19006
Wt: 521.6
BDBM19011
Wt: 551.6
BDBM19012
Wt: 555.6
BDBM19013

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 12743,18991,18992,18993,18994,19001,19003,19004,19005,19006,19011,19012,19013   
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 X


(Homo sapiens (Human))
BDBM18991
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0700 -13.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12743
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.180 -13.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19004
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2cncn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)20-38-22-34-21-35-38)15-17-39(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)18-37-16-14-27(41)19-37/h2-13,21-22,27,41H,14-20H2,1H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.25 -13.0n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19012
PNG
(6-(4-{2-[(4-hydroxypiperidin-1-yl)methyl]phenyl}ph...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCC(O)CC1
Show InChI InChI=1S/C32H33N5O4/c1-41-26-12-10-24(11-13-26)37-30-28(29(34-37)31(33)39)16-19-36(32(30)40)23-8-6-21(7-9-23)27-5-3-2-4-22(27)20-35-17-14-25(38)15-18-35/h2-13,25,38H,14-20H2,1H3,(H2,33,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19011
PNG
(1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCCC1
Show InChI InChI=1S/C31H31N5O3/c1-39-25-14-12-24(13-15-25)36-29-27(28(33-36)30(32)37)16-19-35(31(29)38)23-10-8-21(9-11-23)26-7-3-2-6-22(26)20-34-17-4-5-18-34/h2-3,6-15H,4-5,16-20H2,1H3,(H2,32,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18994
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C31H29N5O3/c1-39-26-12-10-24(11-13-26)36-30-28(29(18-32)33-36)15-17-35(31(30)38)23-8-6-21(7-9-23)27-5-3-2-4-22(27)19-34-16-14-25(37)20-34/h2-13,25,37H,14-17,19-20H2,1H3/t25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.330 -12.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19013
PNG
(6-[4-(2-{[bis(2-hydroxyethyl)amino]methyl}phenyl)p...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(CCO)CCO
Show InChI InChI=1S/C31H33N5O5/c1-41-25-12-10-24(11-13-25)36-29-27(28(33-36)30(32)39)14-15-35(31(29)40)23-8-6-21(7-9-23)26-5-3-2-4-22(26)20-34(16-18-37)17-19-38/h2-13,37-38H,14-20H2,1H3,(H2,32,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19003
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2nccn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)22-39-34-16-17-35-39)15-19-38(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-18-14-27(41)21-37/h2-13,16-17,27,41H,14-15,18-22H2,1H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.480 -12.6n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12743
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.501n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19001
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1nnn[nH]1
Show InChI InChI=1S/C31H30N8O3/c1-42-25-12-10-23(11-13-25)39-29-27(28(34-39)30-32-35-36-33-30)15-17-38(31(29)41)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-37-16-14-24(40)19-37/h2-13,24,40H,14-19H2,1H3,(H,32,33,35,36)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.630 -12.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12743
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.760n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12743
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.760 -12.3n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19005
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2cnnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(34-40)20-38-21-33-35-36-38)15-17-39(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.850 -12.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19006
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2ncnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(35-40)20-39-34-21-33-36-39)15-17-38(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10 -12.1n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18993
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H35N5O4/c1-35(2)32(40)30-29-17-19-37(33(41)31(29)38(34-30)25-12-14-27(42-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-36-18-16-26(39)21-36/h4-15,26,39H,16-21H2,1-3H3/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70 -11.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18992
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES CNC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1
Show InChI InChI=1S/C32H33N5O4/c1-33-31(39)29-28-16-18-36(32(40)30(28)37(34-29)24-11-13-26(41-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-35-17-15-25(38)20-35/h3-14,25,38H,15-20H2,1-2H3,(H,33,39)/t25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80 -11.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM18994
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C31H29N5O3/c1-39-26-12-10-24(11-13-26)36-30-28(29(18-32)33-36)15-17-35(31(30)38)23-8-6-21(7-9-23)27-5-3-2-4-22(27)19-34-16-14-25(37)20-34/h2-13,25,37H,14-17,19-20H2,1H3/t25-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM18991
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM12743
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM19005
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2cnnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(34-40)20-38-21-33-35-36-38)15-17-39(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
970n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM19003
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2nccn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)22-39-34-16-17-35-39)15-19-38(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-18-14-27(41)21-37/h2-13,16-17,27,41H,14-15,18-22H2,1H3/t27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
980n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM19006
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2ncnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(35-40)20-39-34-21-33-36-39)15-17-38(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM19004
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2cncn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)20-38-22-34-21-35-38)15-17-39(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)18-37-16-14-27(41)19-37/h2-13,21-22,27,41H,14-20H2,1H3/t27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM18992
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES CNC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1
Show InChI InChI=1S/C32H33N5O4/c1-33-31(39)29-28-16-18-36(32(40)30(28)37(34-29)24-11-13-26(41-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-35-17-15-25(38)20-35/h3-14,25,38H,15-20H2,1-2H3,(H,33,39)/t25-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM18993
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H35N5O4/c1-35(2)32(40)30-29-17-19-37(33(41)31(29)38(34-30)25-12-14-27(42-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-36-18-16-26(39)21-36/h4-15,26,39H,16-21H2,1-3H3/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM19001
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1nnn[nH]1
Show InChI InChI=1S/C31H30N8O3/c1-42-25-12-10-23(11-13-25)39-29-27(28(34-39)30-32-35-36-33-30)15-17-38(31(29)41)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-37-16-14-24(40)19-37/h2-13,24,40H,14-19H2,1H3,(H,32,33,35,36)/t24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair