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BDBM50280077 CHEMBL18988::sec-Butyl-[4-(2,4-dimethoxy-phenyl)-4H-benzo[b]pyrrolo[1,2-d][1,4]thiazin-1-ylmethyl]-amine

SMILES: CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC

InChI Key: InChIKey=KINZMPRXMDYDFD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50280077   
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-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50280077
PNG
(CHEMBL18988 | sec-Butyl-[4-(2,4-dimethoxy-phenyl)-...)
Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H28N2O2S/c1-5-16(2)25-15-17-10-13-21-24(19-12-11-18(27-3)14-22(19)28-4)29-23-9-7-6-8-20(23)26(17)21/h6-14,16,24-25H,5,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
5.60n/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)
BDBM50280077
PNG
(CHEMBL18988 | sec-Butyl-[4-(2,4-dimethoxy-phenyl)-...)
Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H28N2O2S/c1-5-16(2)25-15-17-10-13-21-24(19-12-11-18(27-3)14-22(19)28-4)29-23-9-7-6-8-20(23)26(17)21/h6-14,16,24-25H,5,15H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/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)
BDBM50280077
PNG
(CHEMBL18988 | sec-Butyl-[4-(2,4-dimethoxy-phenyl)-...)
Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H28N2O2S/c1-5-16(2)25-15-17-10-13-21-24(19-12-11-18(27-3)14-22(19)28-4)29-23-9-7-6-8-20(23)26(17)21/h6-14,16,24-25H,5,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair