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33 similar compounds to monomer 50156789

Compile data set for download or QSAR
Wt: 318.3
BDBM50156812
Wt: 321.3
BDBM50156778
Wt: 307.3
BDBM50156782
Wt: 360.2
BDBM50156787
Wt: 325.7
BDBM50156788
Wt: 325.7
BDBM50156790
Wt: 327.3
BDBM50156791
Wt: 325.3
BDBM50156792
Wt: 309.3
BDBM50156793
Wt: 309.3
BDBM50156795
Wt: 307.3
BDBM50156796
Wt: 305.3
BDBM50156797
Wt: 291.3
BDBM50156798
Wt: 492.3
BDBM50173110
Wt: 441.5
BDBM50173111
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50156812,50156778,50156782,50156787,50156788,50156790,50156791,50156792,50156793,50156795,50156796,50156797,50156798,50173110,50173111   
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))
BDBM50156788
PNG
(CHEMBL3794104)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3O/c19-15-4-1-12(2-5-15)17(10-20)18(23)22-16-6-3-14-11-21-8-7-13(14)9-16/h1-9,11,17H,10,20H2,(H,22,23)
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0.400n/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))
BDBM50156782
PNG
(CHEMBL3792663)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1
Show InChI InChI=1S/C18H17N3O2/c19-10-17(12-2-5-16(22)6-3-12)18(23)21-15-4-1-14-11-20-8-7-13(14)9-15/h1-9,11,17,22H,10,19H2,(H,21,23)
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0.600n/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))
BDBM50156787
PNG
(CHEMBL3793404)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl2N3O/c19-13-2-4-15(17(20)8-13)16(9-21)18(24)23-14-3-1-12-10-22-6-5-11(12)7-14/h1-8,10,16H,9,21H2,(H,23,24)
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0.800n/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))
BDBM50156795
PNG
(CHEMBL3794270)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1F
Show InChI InChI=1S/C18H16FN3O/c19-17-4-2-1-3-15(17)16(10-20)18(23)22-14-6-5-13-11-21-8-7-12(13)9-14/h1-9,11,16H,10,20H2,(H,22,23)
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1n/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))
BDBM50156793
PNG
(CHEMBL3792921)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O/c19-15-4-1-12(2-5-15)17(10-20)18(23)22-16-6-3-14-11-21-8-7-13(14)9-16/h1-9,11,17H,10,20H2,(H,22,23)
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1n/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))
BDBM50156790
PNG
(CHEMBL3792549)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1Cl
Show InChI InChI=1S/C18H16ClN3O/c19-17-4-2-1-3-15(17)16(10-20)18(23)22-14-6-5-13-11-21-8-7-12(13)9-14/h1-9,11,16H,10,20H2,(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))
BDBM50156778
PNG
(CHEMBL3793153)
Show SMILES COc1cccc(c1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-24-17-4-2-3-14(10-17)18(11-20)19(23)22-16-6-5-15-12-21-8-7-13(15)9-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
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2n/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))
BDBM50156792
PNG
(CHEMBL3792581)
Show SMILES NCC(C(=O)Nc1ccc2c(O)nccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O2/c19-13-3-1-11(2-4-13)16(10-20)18(24)22-14-5-6-15-12(9-14)7-8-21-17(15)23/h1-9,16H,10,20H2,(H,21,23)(H,22,24)
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2n/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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156798
PNG
(CHEMBL3793245)
Show SMILES NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-11-17(13-4-2-1-3-5-13)18(22)21-16-7-6-15-12-20-9-8-14(15)10-16/h1-10,12,17H,11,19H2,(H,21,22)/t17-/m0/s1
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16n/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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50156812
PNG
(PHENSTATIN)
Show SMILES COc1ccc(cc1O)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C17H18O6/c1-20-13-6-5-10(7-12(13)18)16(19)11-8-14(21-2)17(23-4)15(9-11)22-3/h5-9,18H,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



'Al. I. Cuza' University of Iasi

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization preincubated for 30 mins followed by GTP addition measured after 20 mins by spectrophotometric method


Bioorg Med Chem 24: 2307-17 (2016)


Article DOI: 10.1016/j.bmc.2016.04.001
BindingDB Entry DOI: 10.7270/Q2KW5HX2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173110
PNG
(CHEMBL3808511)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccc(F)cc1Br
Show InChI InChI=1S/C23H27BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-5,8,12-15,27,29H,2,6-7,9-11H2,1H3,(H2,26,30)
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n/an/a 22n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173111
PNG
(CHEMBL3810220)
Show SMILES COc1cc(C)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1S/C25H35N3O4/c1-17-5-6-22(23(13-17)31-3)32-12-8-27-18(2)14-19-15-20-7-10-28(9-4-11-29)24(20)21(16-19)25(26)30/h5-6,13,15-16,18,27,29H,4,7-12,14H2,1-3H3,(H2,26,30)
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n/an/a 61n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50173111
PNG
(CHEMBL3810220)
Show SMILES COc1cc(C)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1S/C25H35N3O4/c1-17-5-6-22(23(13-17)31-3)32-12-8-27-18(2)14-19-15-20-7-10-28(9-4-11-29)24(20)21(16-19)25(26)30/h5-6,13,15-16,18,27,29H,4,7-12,14H2,1-3H3,(H2,26,30)
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n/an/a 618n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173110
PNG
(CHEMBL3808511)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccc(F)cc1Br
Show InChI InChI=1S/C23H27BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-5,8,12-15,27,29H,2,6-7,9-11H2,1H3,(H2,26,30)
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n/an/a 2.70n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50173110
PNG
(CHEMBL3808511)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccc(F)cc1Br
Show InChI InChI=1S/C23H27BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-5,8,12-15,27,29H,2,6-7,9-11H2,1H3,(H2,26,30)
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n/an/a 981n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173111
PNG
(CHEMBL3810220)
Show SMILES COc1cc(C)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1S/C25H35N3O4/c1-17-5-6-22(23(13-17)31-3)32-12-8-27-18(2)14-19-15-20-7-10-28(9-4-11-29)24(20)21(16-19)25(26)30/h5-6,13,15-16,18,27,29H,4,7-12,14H2,1-3H3,(H2,26,30)
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n/an/a 7.60n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair