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2 similar compounds to monomer 50110554

Compile data set for download or QSAR
Wt: 604.7
BDBM50103080
Wt: 590.7
BDBM50110550

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50103080,50110550   
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


(Homo sapiens (Human))
BDBM50110550
PNG
((2-Amino-phenyl)-[4-((R)-4-{(S)-1-[4-(benzo[1,3]di...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H38N4O5S/c1-22-20-35(25-13-15-34(16-14-25)32(37)28-5-3-4-6-29(28)33)17-18-36(22)23(2)24-7-9-26(10-8-24)42(38,39)27-11-12-30-31(19-27)41-21-40-30/h3-12,19,22-23,25H,13-18,20-21,33H2,1-2H3/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103080
PNG
((2-Amino-6-methyl-phenyl)-[4-((S)-4-{(S)-1-[4-(ben...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H40N4O5S/c1-22-5-4-6-29(34)32(22)33(38)35-15-13-26(14-16-35)36-17-18-37(23(2)20-36)24(3)25-7-9-27(10-8-25)43(39,40)28-11-12-30-31(19-28)42-21-41-30/h4-12,19,23-24,26H,13-18,20-21,34H2,1-3H3/t23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit [125I]-labeled RANTES binding to C-C chemokine receptor type 5 expressed in membrane preparation of CHO cells


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50103080
PNG
((2-Amino-6-methyl-phenyl)-[4-((S)-4-{(S)-1-[4-(ben...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H40N4O5S/c1-22-5-4-6-29(34)32(22)33(38)35-15-13-26(14-16-35)36-17-18-37(23(2)20-36)24(3)25-7-9-27(10-8-25)43(39,40)28-11-12-30-31(19-28)42-21-41-30/h4-12,19,23-24,26H,13-18,20-21,34H2,1-3H3/t23-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 2143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00381-x
BindingDB Entry DOI: 10.7270/Q2VQ320K
More data for this
Ligand-Target Pair