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BDBM50103089 (4-{(S)-4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL69581

SMILES: C[C@H]1CN(CCN1Cc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)C1CCN(CC1)C(=O)c1c(C)cccc1C

InChI Key: InChIKey=CWYQMJKOOOYTLH-VWLOTQADSA-N

Data: 2 KI

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 2 hits for monomerid = 50103089   
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))
BDBM50103089
PNG
((4-{(S)-4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl...)
Show SMILES C[C@H]1CN(CCN1Cc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)C1CCN(CC1)C(=O)c1c(C)cccc1C
Show InChI InChI=1S/C33H39N3O5S/c1-23-5-4-6-24(2)32(23)33(37)34-15-13-27(14-16-34)36-18-17-35(25(3)20-36)21-26-7-9-28(10-8-26)42(38,39)29-11-12-30-31(19-29)41-22-40-30/h4-12,19,25,27H,13-18,20-22H2,1-3H3/t25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>40n/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
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50103089
PNG
((4-{(S)-4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl...)
Show SMILES C[C@H]1CN(CCN1Cc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)C1CCN(CC1)C(=O)c1c(C)cccc1C
Show InChI InChI=1S/C33H39N3O5S/c1-23-5-4-6-24(2)32(23)33(37)34-15-13-27(14-16-34)36-18-17-35(25(3)20-36)21-26-7-9-28(10-8-26)42(38,39)29-11-12-30-31(19-29)41-22-40-30/h4-12,19,25,27H,13-18,20-22H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
74n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5


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