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11 similar compounds to monomer 50156788

Compile data set for download or QSAR
Wt: 384.4
BDBM50156802
Wt: 325.7
BDBM50156789
Wt: 327.3
BDBM50156791
Wt: 307.3
BDBM50156796
Wt: 305.3
BDBM50156797
Wt: 321.3
BDBM50156777
Wt: 354.4
BDBM50156800
Wt: 396.5
BDBM50156808
Wt: 426.5
BDBM50156810
Wt: 440.5
BDBM50156811
Wt: 375.8
BDBM50156813

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50156802,50156789,50156791,50156796,50156797,50156777,50156800,50156808,50156810,50156811,50156813   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156789
PNG
(CHEMBL3793505)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN3O/c19-15-3-1-2-13(8-15)17(10-20)18(23)22-16-5-4-14-11-21-7-6-12(14)9-16/h1-9,11,17H,10,20H2,(H,22,23)
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0.900n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156791
PNG
(CHEMBL3793969)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H15F2N3O/c19-16-4-2-12(8-17(16)20)15(9-21)18(24)23-14-3-1-13-10-22-6-5-11(13)7-14/h1-8,10,15H,9,21H2,(H,23,24)
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1.20n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156777
PNG
(CHEMBL3793516)
Show SMILES COc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-24-17-6-3-13(4-7-17)18(11-20)19(23)22-16-5-2-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
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1.30n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156797
PNG
(CHEMBL3793538)
Show SMILES NCCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O/c20-10-8-18(14-4-2-1-3-5-14)19(23)22-17-7-6-16-13-21-11-9-15(16)12-17/h1-7,9,11-13,18H,8,10,20H2,(H,22,23)
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1.5n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156796
PNG
(CHEMBL3792781)
Show SMILES NCC(C(=O)Nc1ccc2c(O)nccc2c1)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c19-11-16(12-4-2-1-3-5-12)18(23)21-14-6-7-15-13(10-14)8-9-20-17(15)22/h1-10,16H,11,19H2,(H,20,22)(H,21,23)
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2.20n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
Show InChI InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
Show InChI InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D2S receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
Show InChI InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
Show InChI InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23390 from human recombinant dopamine D1 receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
Show InChI InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23390 from human recombinant dopamine D5 receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
Show InChI InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156813
PNG
(CHEMBL3792751)
Show SMILES Fc1ccc2c(CN3CCO[C@H](COc4cccc(Cl)n4)C3)c[nH]c2c1
Show InChI InChI=1S/C19H19ClFN3O2/c20-18-2-1-3-19(23-18)26-12-15-11-24(6-7-25-15)10-13-9-22-17-8-14(21)4-5-16(13)17/h1-5,8-9,15,22H,6-7,10-12H2/t15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50156811
PNG
(CHEMBL3792491)
Show SMILES CCN(CCCCCCNC(=O)\C=C\c1ccc(O)c(OC)c1)Cc1ccccc1OC
Show InChI InChI=1S/C26H36N2O4/c1-4-28(20-22-11-7-8-12-24(22)31-2)18-10-6-5-9-17-27-26(30)16-14-21-13-15-23(29)25(19-21)32-3/h7-8,11-16,19,29H,4-6,9-10,17-18,20H2,1-3H3,(H,27,30)/b16-14+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay


Bioorg Med Chem Lett 26: 2539-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.086
BindingDB Entry DOI: 10.7270/Q2QN68P7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50156808
PNG
(CHEMBL3792814)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCN(C)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C24H32N2O3/c1-26(19-21-10-6-5-7-11-21)17-9-4-3-8-16-25-24(28)15-13-20-12-14-22(27)23(18-20)29-2/h5-7,10-15,18,27H,3-4,8-9,16-17,19H2,1-2H3,(H,25,28)/b15-13+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay


Bioorg Med Chem Lett 26: 2539-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.086
BindingDB Entry DOI: 10.7270/Q2QN68P7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50156802
PNG
(CHEMBL3794260)
Show SMILES COc1cc(\C=C\C(=O)NCCCN(C)Cc2ccccc2OC)ccc1O
Show InChI InChI=1S/C22H28N2O4/c1-24(16-18-7-4-5-8-20(18)27-2)14-6-13-23-22(26)12-10-17-9-11-19(25)21(15-17)28-3/h4-5,7-12,15,25H,6,13-14,16H2,1-3H3,(H,23,26)/b12-10+
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n/an/a 2.51E+4n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay


Bioorg Med Chem Lett 26: 2539-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.086
BindingDB Entry DOI: 10.7270/Q2QN68P7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50156800
PNG
(CHEMBL3793476)
Show SMILES COc1cc(\C=C\C(=O)NCCCN(C)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C21H26N2O3/c1-23(16-18-7-4-3-5-8-18)14-6-13-22-21(25)12-10-17-9-11-19(24)20(15-17)26-2/h3-5,7-12,15,24H,6,13-14,16H2,1-2H3,(H,22,25)/b12-10+
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n/an/a 3.47E+4n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay


Bioorg Med Chem Lett 26: 2539-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.086
BindingDB Entry DOI: 10.7270/Q2QN68P7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50156810
PNG
(CHEMBL3792478)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCN(C)Cc2ccccc2OC)ccc1O
Show InChI InChI=1S/C25H34N2O4/c1-27(19-21-10-6-7-11-23(21)30-2)17-9-5-4-8-16-26-25(29)15-13-20-12-14-22(28)24(18-20)31-3/h6-7,10-15,18,28H,4-5,8-9,16-17,19H2,1-3H3,(H,26,29)/b15-13+
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n/an/a 8.50E+3n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay


Bioorg Med Chem Lett 26: 2539-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.086
BindingDB Entry DOI: 10.7270/Q2QN68P7
More data for this
Ligand-Target Pair