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3 similar compounds to monomer 50156799

Compile data set for download or QSAR
Wt: 305.3
BDBM50156784
Wt: 368.4
BDBM50156804
Wt: 333.8
BDBM50156814

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50156784,50156804,50156814   
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))
BDBM50156784
PNG
(CHEMBL3792673)
Show SMILES Cc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C19H19N3O/c1-13-2-4-14(5-3-13)18(11-20)19(23)22-17-7-6-16-12-21-9-8-15(16)10-17/h2-10,12,18H,11,20H2,1H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50156814
PNG
(CHEMBL3792731)
Show SMILES Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1
Show InChI InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1
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DrugBank
GoogleScholar
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PC sid
UniChem

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Article
PubMed
9.40n/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))
BDBM50156814
PNG
(CHEMBL3792731)
Show SMILES Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1
Show InChI InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1
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UniProtKB/SwissProt

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PC sid
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Article
PubMed
>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))
BDBM50156814
PNG
(CHEMBL3792731)
Show SMILES Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1
Show InChI InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50156814
PNG
(CHEMBL3792731)
Show SMILES Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1
Show InChI InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1
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Article
PubMed
>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
Dopamine receptor


(Homo sapiens (Human))
BDBM50156814
PNG
(CHEMBL3792731)
Show SMILES Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1
Show InChI InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>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))
BDBM50156814
PNG
(CHEMBL3792731)
Show SMILES Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1
Show InChI InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>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))
BDBM50156814
PNG
(CHEMBL3792731)
Show SMILES Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1
Show InChI InChI=1S/C18H20ClNOS/c19-16-8-6-15(7-9-16)12-20-10-11-21-17(13-20)14-22-18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1
Reactome pathway
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UniChem

Similars

Article
PubMed
n/an/a 34n/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))
BDBM50156804
PNG
(CHEMBL3792591)
Show SMILES COc1cc(\C=C\C(=O)NCCCCN(C)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C22H28N2O3/c1-24(17-19-8-4-3-5-9-19)15-7-6-14-23-22(26)13-11-18-10-12-20(25)21(16-18)27-2/h3-5,8-13,16,25H,6-7,14-15,17H2,1-2H3,(H,23,26)/b13-11+
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GoogleScholar
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 2.96E+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