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BDBM50417667 CHEMBL1643574

SMILES: Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12

InChI Key: InChIKey=IZFFAYAQVHNZHH-IBGZPJMESA-N

Data: 1 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50417667   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417667
PNG
(CHEMBL1643574)
Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
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PubMed
794n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem Lett 21: 97-101 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.060
BindingDB Entry DOI: 10.7270/Q29W0GQK
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50417667
PNG
(CHEMBL1643574)
Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
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n/an/a 91.2n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
BindingDB Entry DOI: 10.7270/Q2DN468G
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417667
PNG
(CHEMBL1643574)
Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
BindingDB Entry DOI: 10.7270/Q2DN468G
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417667
PNG
(CHEMBL1643574)
Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK-1 by Immobilized metal ion affinity-based fluorescence polarization assay


Bioorg Med Chem Lett 21: 97-101 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.060
BindingDB Entry DOI: 10.7270/Q29W0GQK
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417667
PNG
(CHEMBL1643574)
Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 776n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
BindingDB Entry DOI: 10.7270/Q2DN468G
More data for this
Ligand-Target Pair