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38 molecules are shown

Compile data set for download or QSAR
Wt: 394.4
BDBM50230704
Wt: 436.5
BDBM50230705
Wt: 490.6
BDBM50230696
Wt: 406.5
BDBM50230697
Wt: 300.3
BDBM50230628
Wt: 179.2
BDBM50230642
Wt: 462.6
BDBM50230693
Wt: 612.6
BDBM50230654
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50230704,50230705,50230696,50230697,50230628,50230642,50230693,50230654   
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
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50230697
PNG
(CHEMBL295099)
Show SMILES CN(C)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C24H30N4O2/c1-26(2)14-11-18-12-15-27(16-13-18)17-23(29)28-21-9-5-3-7-19(21)24(30)25-20-8-4-6-10-22(20)28/h3-10,18H,11-17H2,1-2H3,(H,25,30)
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20n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M2 receptor of rat heart


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50230693
PNG
(CHEMBL46484)
Show SMILES CCCN(CCC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C28H38N4O2/c1-3-16-30(17-4-2)18-13-22-14-19-31(20-15-22)21-27(33)32-25-11-7-5-9-23(25)28(34)29-24-10-6-8-12-26(24)32/h5-12,22H,3-4,13-21H2,1-2H3,(H,29,34)
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47n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M2 receptor of rat heart


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50230697
PNG
(CHEMBL295099)
Show SMILES CN(C)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C24H30N4O2/c1-26(2)14-11-18-12-15-27(16-13-18)17-23(29)28-21-9-5-3-7-19(21)24(30)25-20-8-4-6-10-22(20)28/h3-10,18H,11-17H2,1-2H3,(H,25,30)
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51n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M1 receptor of rat brain


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50230696
PNG
(CHEMBL432860)
Show SMILES CC(C)CN(CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(C)C
Show InChI InChI=1/C30H42N4O2/c1-22(2)19-32(20-23(3)4)18-16-24-11-9-10-17-33(24)21-29(35)34-27-14-7-5-12-25(27)30(36)31-26-13-6-8-15-28(26)34/h5-8,12-15,22-24H,9-11,16-21H2,1-4H3,(H,31,36)
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74n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M2 receptor of rat heart


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50230693
PNG
(CHEMBL46484)
Show SMILES CCCN(CCC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C28H38N4O2/c1-3-16-30(17-4-2)18-13-22-14-19-31(20-15-22)21-27(33)32-25-11-7-5-9-23(25)28(34)29-24-10-6-8-12-26(24)32/h5-12,22H,3-4,13-21H2,1-2H3,(H,29,34)
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97n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M1 receptor of rat brain


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50230696
PNG
(CHEMBL432860)
Show SMILES CC(C)CN(CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(C)C
Show InChI InChI=1/C30H42N4O2/c1-22(2)19-32(20-23(3)4)18-16-24-11-9-10-17-33(24)21-29(35)34-27-14-7-5-12-25(27)30(36)31-26-13-6-8-15-28(26)34/h5-8,12-15,22-24H,9-11,16-21H2,1-4H3,(H,31,36)
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99n/an/an/an/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity by the displacement of [3H]NMS binding to muscarinic M1 receptor of rat brain


J Med Chem 36: 162-5 (1993)


Article DOI: 10.1021/jm00053a021
BindingDB Entry DOI: 10.7270/Q22R3TWJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230642
PNG
(CHEMBL282490)
Show SMILES C1CN2CCC1C(C2)n1cnnn1
Show InChI InChI=1/C8H13N5/c1-3-12-4-2-7(1)8(5-12)13-6-9-10-11-13/h6-8H,1-5H2
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n/an/a 1.15E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its binding affinity to muscarinic acetylcholine receptor from rat cortical homogenates using [3H]QNB as radioligand


J Med Chem 35: 1280-90 (1992)


Article DOI: 10.1021/jm00085a016
BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50230642
PNG
(CHEMBL282490)
Show SMILES C1CN2CCC1C(C2)n1cnnn1
Show InChI InChI=1/C8H13N5/c1-3-12-4-2-7(1)8(5-12)13-6-9-10-11-13/h6-8H,1-5H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its binding affinity to muscarinic acetylcholine receptor from rat cortical homogenates using [3H]OXO-M as radioliga...


J Med Chem 35: 1280-90 (1992)


Article DOI: 10.1021/jm00085a016
BindingDB Entry DOI: 10.7270/Q2G1632Q
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230628
PNG
(CHEMBL273261)
Show SMILES CCOc1cc2OCOc2cc1CCc1ccc(OC)cc1
Show InChI InChI=1S/C18H20O4/c1-3-20-16-11-18-17(21-12-22-18)10-14(16)7-4-13-5-8-15(19-2)9-6-13/h5-6,8-11H,3-4,7,12H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of glutamate-dependent tubulin polymerization at 30 degrees C(0.25 mM MgCl2)


J Med Chem 35: 1058-67 (1992)


Article DOI: 10.1021/jm00084a011
BindingDB Entry DOI: 10.7270/Q2KS6TSB
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50230705
PNG
(CHEMBL49951)
Show SMILES [Br-].CCCCCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1/C22H46NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22;/h24H,4-21H2,1-3H3;1H/q+1;/p-1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain


J Med Chem 36: 177-8 (1993)


Article DOI: 10.1021/jm00053a024
BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50230654
PNG
(CHEMBL4093568)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCN(C)CC3)c(OC)c2c1
Show InChI InChI=1S/C29H30F2N6O5S/c1-36-8-10-37(11-9-36)17-27(38)34-25-16-32-23-6-4-18(12-21(23)28(25)41-2)19-13-24(29(42-3)33-15-19)35-43(39,40)26-7-5-20(30)14-22(26)31/h4-7,12-16,35H,8-11,17H2,1-3H3,(H,34,38)
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n/an/a 3.20n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha (unknown origin) using PIP2 as substrate after 1 hr by luminescent kinase-Glo assay


Eur J Med Chem 127: 509-520 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.016
BindingDB Entry DOI: 10.7270/Q2CZ39DX
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50230704
PNG
(CHEMBL416830)
Show SMILES [Br-].CCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1/C19H40NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(21)18-20(2,3)16-17-22-19;/h21H,4-18H2,1-3H3;1H/q+1;/p-1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain


J Med Chem 36: 177-8 (1993)


Article DOI: 10.1021/jm00053a024
BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair