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11 similar compounds to monomer 50194530

Compile data set for download or QSAR
Wt: 382.4
BDBM50194511
Wt: 461.3
BDBM50194514
Wt: 407.5
BDBM50194517
Wt: 407.5
BDBM50194519
Wt: 407.5
BDBM50194521
Wt: 382.4
BDBM50194525
Wt: 407.5
BDBM50194528
Wt: 383.4
BDBM50194538
Wt: 461.3
BDBM50194540
Wt: 382.4
BDBM50194542
Wt: 382.4
BDBM50194546

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50194511,50194514,50194517,50194519,50194521,50194525,50194528,50194538,50194540,50194542,50194546   
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
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194538
PNG
(CHEMBL216310 | methyl 5-(diisopropylamino)-5-oxo-3...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C22H29N3O3/c1-15(2)25(16(3)4)22(27)21(18-9-7-11-24-14-18)19(12-20(26)28-5)17-8-6-10-23-13-17/h6-11,13-16,19,21H,12H2,1-5H3
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 708n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194540
PNG
(CHEMBL217011 | methyl 3-(3-bromophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1cccc(Br)c1
Show InChI InChI=1S/C23H29BrN2O3/c1-15(2)26(16(3)4)23(28)22(18-9-7-11-25-14-18)20(13-21(27)29-5)17-8-6-10-19(24)12-17/h6-12,14-16,20,22H,13H2,1-5H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194542
PNG
(CHEMBL216255 | methyl 5-(diisopropylamino)-5-oxo-4...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C23H30N2O3/c1-16(2)25(17(3)4)23(27)22(19-9-7-6-8-10-19)20(15-21(26)28-5)18-11-13-24-14-12-18/h6-14,16-17,20,22H,15H2,1-5H3
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 5.32E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194546
PNG
(CHEMBL384974 | methyl 5-(diisopropylamino)-5-oxo-4...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H30N2O3/c1-16(2)25(17(3)4)23(27)22(18-10-7-6-8-11-18)20(14-21(26)28-5)19-12-9-13-24-15-19/h6-13,15-17,20,22H,14H2,1-5H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 266n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194511
PNG
((3S,4S)-methyl 5-(diisopropylamino)-5-oxo-3-phenyl...)
Show SMILES COC(=O)C[C@@H]([C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O3/c1-16(2)25(17(3)4)23(27)22(19-12-9-13-24-15-19)20(14-21(26)28-5)18-10-7-6-8-11-18/h6-13,15-17,20,22H,14H2,1-5H3/t20-,22-/m1/s1
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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194528
PNG
(CHEMBL411970 | methyl 3-(4-cyanophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H29N3O3/c1-16(2)27(17(3)4)24(29)23(20-7-6-12-26-15-20)21(13-22(28)30-5)19-10-8-18(14-25)9-11-19/h6-12,15-17,21,23H,13H2,1-5H3
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Article
PubMed
n/an/a 215n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194517
PNG
(CHEMBL385737 | methyl 3-(3-cyanophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H29N3O3/c1-16(2)27(17(3)4)24(29)23(20-10-7-11-26-15-20)21(13-22(28)30-5)19-9-6-8-18(12-19)14-25/h6-12,15-17,21,23H,13H2,1-5H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 184n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194519
PNG
(CHEMBL436956 | methyl 3-(2-cyanophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1ccccc1C#N
Show InChI InChI=1S/C24H29N3O3/c1-16(2)27(17(3)4)24(29)23(19-10-8-12-26-15-19)21(13-22(28)30-5)20-11-7-6-9-18(20)14-25/h6-12,15-17,21,23H,13H2,1-5H3
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Article
PubMed
n/an/a 1.77E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194521
PNG
(CHEMBL386226 | methyl 4-(3-cyanophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccc(c1)C#N)c1cccnc1
Show InChI InChI=1S/C24H29N3O3/c1-16(2)27(17(3)4)24(29)23(19-9-6-8-18(12-19)14-25)21(13-22(28)30-5)20-10-7-11-26-15-20/h6-12,15-17,21,23H,13H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 326n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194525
PNG
(CHEMBL384309 | methyl 5-(diisopropylamino)-5-oxo-3...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O3/c1-16(2)25(17(3)4)23(27)22(19-11-13-24-14-12-19)20(15-21(26)28-5)18-9-7-6-8-10-18/h6-14,16-17,20,22H,15H2,1-5H3
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194514
PNG
(CHEMBL217921 | methyl 4-(3-bromophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccc(Br)c1)c1cccnc1
Show InChI InChI=1S/C23H29BrN2O3/c1-15(2)26(16(3)4)23(28)22(17-8-6-10-19(24)12-17)20(13-21(27)29-5)18-9-7-11-25-14-18/h6-12,14-16,20,22H,13H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 147n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair