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BDBM50029415 (6-Chloro-4,4-diphenyl-4H-benzo[b]pyrrolo[1,2-d][1,4]thiazin-1-ylmethyl)-dimethyl-amine::CHEMBL24086

SMILES: CN(C)Cc1ccc2n1-c1cccc(Cl)c1SC2(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ZRZIPMSKFWIYPD-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50029415   
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)
BDBM50029415
PNG
((6-Chloro-4,4-diphenyl-4H-benzo[b]pyrrolo[1,2-d][1...)
Show SMILES CN(C)Cc1ccc2n1-c1cccc(Cl)c1SC2(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23ClN2S/c1-28(2)18-21-16-17-24-26(19-10-5-3-6-11-19,20-12-7-4-8-13-20)30-25-22(27)14-9-15-23(25)29(21)24/h3-17H,18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
26n/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


J Med Chem 38: 4393-410 (1995)

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


(Rattus norvegicus)
BDBM50029415
PNG
((6-Chloro-4,4-diphenyl-4H-benzo[b]pyrrolo[1,2-d][1...)
Show SMILES CN(C)Cc1ccc2n1-c1cccc(Cl)c1SC2(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H23ClN2S/c1-28(2)18-21-16-17-24-26(19-10-5-3-6-11-19,20-12-7-4-8-13-20)30-25-22(27)14-9-15-23(25)29(21)24/h3-17H,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/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)


Article DOI: 10.1021/jm9605647
More data for this
Ligand-Target Pair