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BDBM50029417 CHEMBL277363::[4-(4-Methoxy-phenyl)-4H-benzo[b]pyrrolo[1,2-d][1,4]thiazin-1-ylmethyl]-dimethyl-amine

SMILES: COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12

InChI Key: InChIKey=TYMAXGQYKWRKGX-UHFFFAOYSA-N

Data: 1 KI  3 IC50

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 4 hits for monomerid = 50029417   
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
Calcium channel


(RAT)
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
53n/an/an/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channel


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate


J Med Chem 39: 2922-38 (1996)

More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.430n/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50


J Med Chem 40: 125-31 (1997)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)

More data for this
Ligand-Target Pair