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11 similar compounds to monomer 50230337

Compile data set for download or QSAR
Wt: 473.5
BDBM50065329
Wt: 366.2
BDBM50180760
Wt: 385.7
BDBM50180761
Wt: 369.6
BDBM50180762
Wt: 595.4
BDBM50230332
Wt: 573.0
BDBM50230333
Wt: 575.0
BDBM50230334
Wt: 609.5
BDBM50230335
Wt: 575.0
BDBM50230336
Wt: 588.0
BDBM50230339
Wt: 563.0
BDBM50230331

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50065329,50180760,50180761,50180762,50230332,50230333,50230334,50230335,50230336,50230339,50230331   
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 XI


(Homo sapiens (Human))
BDBM50230339
PNG
(CHEMBL4098577)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C/CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2-,12-7+/t21-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230332
PNG
(CHEMBL4063872)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H28Cl2N8O3/c1-41-28(40)32-20-10-11-21-17(15-20)6-4-2-3-5-7-22(27-34-25(21)26(30)35-27)33-24(39)13-8-18-14-19(29)9-12-23(18)38-16-31-36-37-38/h8-16,22H,2-7H2,1H3,(H,32,40)(H,33,39)(H,34,35)/b13-8+/t22-/m0/s1
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42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230335
PNG
(CHEMBL4072590)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H30Cl2N8O3/c1-42-29(41)33-21-11-12-22-18(16-21)7-5-3-2-4-6-8-23(28-35-26(22)27(31)36-28)34-25(40)14-9-19-15-20(30)10-13-24(19)39-17-32-37-38-39/h9-17,23H,2-8H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1
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68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230333
PNG
(CHEMBL4104659)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H29ClN8O3/c1-41-29(40)33-22-11-12-23-19(16-22)7-5-3-2-4-6-8-24(28-31-17-25(23)35-28)34-27(39)14-9-20-15-21(30)10-13-26(20)38-18-32-36-37-38/h4,6,9-18,24H,2-3,5,7-8H2,1H3,(H,31,35)(H,33,40)(H,34,39)/b6-4+,14-9+/t24-/m0/s1
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184n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230331
PNG
(CHEMBL4081356)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H27ClN8O4/c1-39-27(38)31-19-8-9-20-22-15-29-26(33-22)21(5-3-2-4-12-40-24(20)14-19)32-25(37)11-6-17-13-18(28)7-10-23(17)36-16-30-34-35-36/h6-11,13-16,21H,2-5,12H2,1H3,(H,29,33)(H,31,38)(H,32,37)/b11-6+/t21-/m0/s1
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420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230334
PNG
(CHEMBL4086754)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H31ClN8O3/c1-41-29(40)33-22-11-12-23-19(16-22)7-5-3-2-4-6-8-24(28-31-17-25(23)35-28)34-27(39)14-9-20-15-21(30)10-13-26(20)38-18-32-36-37-38/h9-18,24H,2-8H2,1H3,(H,31,35)(H,33,40)(H,34,39)/b14-9+/t24-/m0/s1
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600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50230336
PNG
(CHEMBL4093309)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H27ClN8O4/c1-40-28(39)32-20-9-10-21-23-16-30-27(34-23)22(6-4-2-3-5-13-41-25(21)15-20)33-26(38)12-7-18-14-19(29)8-11-24(18)37-17-31-35-36-37/h2,4,7-12,14-17,22H,3,5-6,13H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b4-2+,12-7+/t22-/m0/s1
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3.92E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method


J Med Chem 60: 1060-1075 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01460
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065329
PNG
(CHEMBL3403853)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCCC2)nc(SCc2cccc(F)c2F)n1
Show InChI InChI=1S/C19H25F2N5O3S2/c1-13(11-27)22-16-10-17(25-31(28,29)26-8-3-2-4-9-26)24-19(23-16)30-12-14-6-5-7-15(20)18(14)21/h5-7,10,13,27H,2-4,8-9,11-12H2,1H3,(H2,22,23,24,25)/t13-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180760
PNG
(CHEMBL3818438)
Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1nccs1)C(F)(F)F
Show InChI InChI=1S/C14H8F6N2OS/c1-7-9(3-2-8(6-21)10(7)13(15,16)17)12(23,14(18,19)20)11-22-4-5-24-11/h2-5,23H,1H3
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00377
BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180761
PNG
(CHEMBL3819111)
Show SMILES OC(c1ccc(Cl)s1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H6ClF6NOS/c15-11-4-3-10(24-11)12(23,14(19,20)21)8-2-1-7(6-22)9(5-8)13(16,17)18/h1-5,23H
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00377
BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50180762
PNG
(CHEMBL3818412)
Show SMILES OC(c1ccc(Cl)o1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H6ClF6NO2/c15-11-4-3-10(24-11)12(23,14(19,20)21)8-2-1-7(6-22)9(5-8)13(16,17)18/h1-5,23H
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 83-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00377
BindingDB Entry DOI: 10.7270/Q2K35WMN
More data for this
Ligand-Target Pair