BindingDB logo
myBDB logout

BDBM50000359 1-(2-Dimethylamino-1-methyl-ethyl)-4-(4-methoxy-phenyl)-3-methyl-6-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one::CHEMBL167987

SMILES: COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(C(C)CN(C)C)C(=O)[C@@H]1C

InChI Key: InChIKey=KLLFPPGWPOQJKZ-HFLHWUEFSA-N

Data: 2 Kd

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 = 50000359   
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 calcium channel


(Homo sapiens (Human))
BDBM50000359
PNG
(1-(2-Dimethylamino-1-methyl-ethyl)-4-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(C(C)CN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C24H29F3N2O2/c1-15(14-28(3)4)29-22-8-6-7-21(24(25,26)27)20(22)13-19(16(2)23(29)30)17-9-11-18(31-5)12-10-17/h6-12,15-16,19H,13-14H2,1-5H3/t15?,16-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 610n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.


J Med Chem 35: 780-93 (1992)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50000359
PNG
(1-(2-Dimethylamino-1-methyl-ethyl)-4-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(C(C)CN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C24H29F3N2O2/c1-15(14-28(3)4)29-22-8-6-7-21(24(25,26)27)20(22)13-19(16(2)23(29)30)17-9-11-18(31-5)12-10-17/h6-12,15-16,19H,13-14H2,1-5H3/t15?,16-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 540n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.


J Med Chem 35: 780-93 (1992)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair