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8 similar compounds to monomer 50155307

Compile data set for download or QSAR
Wt: 463.6
BDBM50118721
Wt: 463.6
BDBM50118722
Wt: 333.4
BDBM50155316
Wt: 780.0
BDBM50155305
Wt: 336.2
BDBM50155312
Wt: 479.5
BDBM50228883
Wt: 584.0
BDBM50228786
Wt: 480.5
BDBM50228787

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50118721,50118722,50155316,50155305,50155312,50228883,50228786,50228787   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50118721
PNG
((S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-y...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)c1nccs1
Show InChI InChI=1S/C23H37N5O3S/c24-11-5-4-9-18(20(29)22-26-12-14-32-22)27-21(30)19-10-6-13-28(19)23(31)17(25)15-16-7-2-1-3-8-16/h12,14,16-19H,1-11,13,15,24-25H2,(H,27,30)/t17-,18+,19+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50118721
PNG
((S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-y...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1)C(=O)c1nccs1
Show InChI InChI=1S/C23H37N5O3S/c24-11-5-4-9-18(20(29)22-26-12-14-32-22)27-21(30)19-10-6-13-28(19)23(31)17(25)15-16-7-2-1-3-8-16/h12,14,16-19H,1-11,13,15,24-25H2,(H,27,30)/t17-,18+,19+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


J Med Chem 45: 4419-32 (2002)


Article DOI: 10.1021/jm011110z
BindingDB Entry DOI: 10.7270/Q2SX6DZV
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50118722
PNG
(2-Amino-N-{[5-amino-1-(thiazole-2-carbonyl)-pentyl...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)[C@H](N)CC1CCCCC1)C(=O)c1nccs1
Show InChI InChI=1S/C23H37N5O3S/c24-11-5-4-8-19(21(30)22-26-12-13-32-22)27-20(29)15-28(17-9-10-17)23(31)18(25)14-16-6-2-1-3-7-16/h12-13,16-19H,1-11,14-15,24-25H2,(H,27,29)/t18-,19+/m1/s1
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13n/an/an/an/an/an/an/an/a



Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


J Med Chem 45: 4419-32 (2002)


Article DOI: 10.1021/jm011110z
BindingDB Entry DOI: 10.7270/Q2SX6DZV
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50155305
PNG
(CHEMBL3782021)
Show SMILES CC(C)CC[C@]1(Cc2ccccc2)NC=C(C1=O)[C@@]1(Cc2ccccc2)NC=C(C1=O)[C@]1(CCCN)NC=C(C1=O)[C@@]1(CC(C)C)NC=C(Cc2ccccc2)C1=O
Show InChI InChI=1S/C49H57N5O4/c1-33(2)21-23-46(27-36-17-10-6-11-18-36)43(56)39(30-51-46)49(28-37-19-12-7-13-20-37)45(58)40(31-54-49)47(22-14-24-50)44(57)41(32-53-47)48(26-34(3)4)42(55)38(29-52-48)25-35-15-8-5-9-16-35/h5-13,15-20,29-34,51-54H,14,21-28,50H2,1-4H3/t46-,47+,48-,49-/m1/s1
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2.05E+3n/an/an/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Displacement of [125I]-SRIF14 from human sst4 receptor


Eur J Med Chem 114: 59-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.046
BindingDB Entry DOI: 10.7270/Q2WH2RWC
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155312
PNG
(CHEMBL3780160)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C17H11F3O4/c18-17(19,20)24-13-5-1-4-12(9-13)14(21)8-7-11-3-2-6-15-16(11)23-10-22-15/h1-9H,10H2/b8-7+
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2.36E+3n/an/an/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition ...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50228883
PNG
(CHEMBL432794)
Show SMILES OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCCc1ccccc1
Show InChI InChI=1S/C30H29N3O3/c34-29(28(23-14-6-2-7-15-23)24-16-8-3-9-17-24)33-20-25-26(19-27(33)30(35)36)32(21-31-25)18-10-13-22-11-4-1-5-12-22/h1-9,11-12,14-17,21,27-28H,10,13,18-20H2,(H,35,36)/t27-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for rat brain Angiotensin II receptor


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50228883
PNG
(CHEMBL432794)
Show SMILES OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCCc1ccccc1
Show InChI InChI=1S/C30H29N3O3/c34-29(28(23-14-6-2-7-15-23)24-16-8-3-9-17-24)33-20-25-26(19-27(33)30(35)36)32(21-31-25)18-10-13-22-11-4-1-5-12-22/h1-9,11-12,14-17,21,27-28H,10,13,18-20H2,(H,35,36)/t27-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50228787
PNG
(CHEMBL4082353)
Show SMILES COCCN(CCOC)c1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C25H29FN6O3/c1-4-23(33)28-19-6-5-7-20(16-19)29-24-22(26)17-27-25(31-24)30-18-8-10-21(11-9-18)32(12-14-34-2)13-15-35-3/h4-11,16-17H,1,12-15H2,2-3H3,(H,28,33)(H2,27,29,30,31)
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n/an/a 7.10n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged full length human recombinant BTK expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) pe...


Eur J Med Chem 126: 444-455 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.047
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50228786
PNG
(CHEMBL4065282)
Show SMILES COCCN(CCOC)CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OC
Show InChI InChI=1S/C28H34ClN7O5/c1-5-25(37)31-19-7-6-8-20(15-19)32-27-22(29)17-30-28(35-27)33-21-9-10-23(24(16-21)41-4)34-26(38)18-36(11-13-39-2)12-14-40-3/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,31,37)(H,34,38)(H2,30,32,33,35)
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n/an/a>100n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged full length human recombinant BTK expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) pe...


Eur J Med Chem 126: 444-455 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.047
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155312
PNG
(CHEMBL3780160)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)\C=C\c1cccc2OCOc12
Show InChI InChI=1S/C17H11F3O4/c18-17(19,20)24-13-5-1-4-12(9-13)14(21)8-7-11-3-2-6-15-16(11)23-10-22-15/h1-9H,10H2/b8-7+
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n/an/a 1.51E+3n/an/an/an/an/an/a



Qatar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cell microsomes using MMTP as substrate preincubated for 5 mins fol...


Eur J Med Chem 114: 162-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.038
BindingDB Entry DOI: 10.7270/Q2N018F1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50155316
PNG
(CHEMBL258288 | CHEMBL551929 | [(S)-1-((2S,3aS,7aS)...)
Show SMILES O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1)N1CCC[C@H]1C(=O)c1nccs1
Show InChI InChI=1S/C17H23N3O2S/c21-15(16-18-7-9-23-16)14-6-3-8-20(14)17(22)13-10-11-4-1-2-5-12(11)19-13/h7,9,11-14,19H,1-6,8,10H2/t11-,12-,13-,14-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair