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7 similar compounds to monomer 50232456

Compile data set for download or QSAR
Wt: 186.2
BDBM50212569
Wt: 188.6
BDBM50212567
Wt: 694.7
BDBM50212591
Wt: 168.2
BDBM50212577
Wt: 222.2
BDBM50212583
Wt: 466.5
BDBM50212598
Wt: 250.3
BDBM50212579

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50212569,50212567,50212591,50212577,50212583,50212598,50212579   
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


(RAT)
BDBM50212583
PNG
(CHEMBL166799)
Show SMILES O[C@@H]1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H18N2O2/c15-11-5-10-14(12(11)16)9-4-3-8-13-6-1-2-7-13/h11,15H,1-2,5-10H2/t11-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem

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Similars

120n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro ability to displace 3H-cis-methyltrimethylammoniummethyl-1,3-dioxolane [3H]CD) from rat cortical Muscarinic acetylcholine receptor in compet...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5X57
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212583
PNG
(CHEMBL166799)
Show SMILES O[C@@H]1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H18N2O2/c15-11-5-10-14(12(11)16)9-4-3-8-13-6-1-2-7-13/h11,15H,1-2,5-10H2/t11-/m1/s1
PDB

UniProtKB/SwissProt

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2.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro ability to displace [3H]quinuclidinyl benzilate [3H]QNB) from rat cortical Muscarinic acetylcholine receptor in competition assay


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5X57
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50212598
PNG
(CHEMBL274574)
Show SMILES CCCSC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C24H22N2O4S2/c1-2-15-31-24-25-21-9-5-6-10-22(21)32(29,30)26(24)16-17-11-13-18(14-12-17)19-7-3-4-8-20(19)23(27)28/h3-14H,2,15-16H2,1H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

4.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding against Angiotensin II receptor in a radioligand binding assay using [125I]-Sar1-Ile8 angiotensin-II as radioligand in rat adrenal cortical m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2C53P05
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212567
PNG
(CHEMBL135260)
Show SMILES CO\N=C(/Cl)[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C8H13ClN2O/c1-12-10-8(9)7-5-11-3-2-6(7)4-11/h6-7H,2-5H2,1H3/b10-8-/t6-,7-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
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Similars

n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212577
PNG
(CHEMBL168032)
Show SMILES CN(C)CC#CCC\C(C)=N\O
Show InChI InChI=1S/C9H16N2O/c1-9(10-12)7-5-4-6-8-11(2)3/h12H,5,7-8H2,1-3H3/b10-9+
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Article
n/an/a 139n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212579
PNG
(CHEMBL167375)
Show SMILES CCCCOc1noc(C)c1C1=CCCN(C)C1
Show InChI InChI=1S/C14H22N2O2/c1-4-5-9-17-14-13(11(2)18-15-14)12-7-6-8-16(3)10-12/h7H,4-6,8-10H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 759n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-OXO-M (oxotremorine-M) from the central muscarinic receptor sites of the rat brain membranes


Bioorg Med Chem Lett 2: 809-814 (1992)


Article DOI: 10.1016/S0960-894X(00)80536-3
BindingDB Entry DOI: 10.7270/Q2T72HBX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50212591
PNG
(CHEMBL428005)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1[P@](=O)(OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)NCC(C)C
Show InChI InChI=1S/C33H55N6O8P/c1-9-22(4)28(31(43)35-20-21(2)3)38-30(42)25-16-13-17-39(25)48(45,46-8)27(18-23-14-11-10-12-15-23)37-29(41)24(19-26(34)40)36-32(44)47-33(5,6)7/h10-12,14-15,21-22,24-25,27-28H,9,13,16-20H2,1-8H3,(H2,34,40)(H,35,43)(H,36,44)(H,37,41)(H,38,42)/t22?,24-,25-,27+,28-,48+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.41E+5n/an/an/an/a5.6n/a


TBA

Assay Description
Inhibitory concentration against HIV-1 Protease at pH 5.6 and at 37 degrees C


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GX4DQ5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212569
PNG
(CHEMBL167982)
Show SMILES CO\N=C(/F)C12CCN(C1)CCC2
Show InChI InChI=1/C9H15FN2O/c1-13-11-8(10)9-3-2-5-12(7-9)6-4-9/h2-7H2,1H3/b11-8-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212569
PNG
(CHEMBL167982)
Show SMILES CO\N=C(/F)C12CCN(C1)CCC2
Show InChI InChI=1/C9H15FN2O/c1-13-11-8(10)9-3-2-5-12(7-9)6-4-9/h2-7H2,1H3/b11-8-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212567
PNG
(CHEMBL135260)
Show SMILES CO\N=C(/Cl)[C@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C8H13ClN2O/c1-12-10-8(9)7-5-11-3-2-6(7)4-11/h6-7H,2-5H2,1H3/b10-8-/t6-,7-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Similars

n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50212577
PNG
(CHEMBL168032)
Show SMILES CN(C)CC#CCC\C(C)=N\O
Show InChI InChI=1S/C9H16N2O/c1-9(10-12)7-5-4-6-8-11(2)3/h12H,5,7-8H2,1-3H3/b10-9+
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
n/an/a 3.68E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.03 nM [3H]quinuclidinyl benzylate binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair