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BDBM50029426 CHEMBL24675::[2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-(4-methoxy-phenyl)-4H-benzo[b]pyrrolo[1,2-d][1,4]thiazin-1-ylmethyl]-methyl-amine

SMILES: COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12

InChI Key: InChIKey=KIYASJXFIUZQLU-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50029426   
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)
BDBM50029426
PNG
(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12
Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.30n/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
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50029426
PNG
(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12
Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
19n/an/an/an/an/an/an/an/a


TBA



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


(Rattus norvegicus)
BDBM50029426
PNG
(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12
Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/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
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50029426
PNG
(CHEMBL24675 | [2-(3,4-Dimethoxy-phenyl)-ethyl]-[4-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)CCc3ccc(OC)c(OC)c3)ccc12
Show InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 53n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair