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BDBM50295697 2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)propoxy)benzyl)-N-(6-(4-hydroxyphenoxy)benzo[d]thiazol-2-yl)benzamide::CHEMBL558314

SMILES: [#7]-[#6]-[#6]-[#6]-[#8]-c1ccccc1-[#6](=O)-[#7](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-c1nc2ccc(-[#8]-c3ccc(-[#8])cc3)cc2s1

InChI Key: InChIKey=BLHUKYKUAQAMCB-UHFFFAOYSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50295697   
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 N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295697
PNG
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)
Show SMILES NCCCOc1ccccc1C(=O)N(Cc1ccc(OCCCN=C(N)N)cc1)c1nc2ccc(Oc3ccc(O)cc3)cc2s1
Show InChI InChI=1S/C34H36N6O5S/c35-17-3-19-44-30-6-2-1-5-28(30)32(42)40(22-23-7-11-25(12-8-23)43-20-4-18-38-33(36)37)34-39-29-16-15-27(21-31(29)46-34)45-26-13-9-24(41)10-14-26/h1-2,5-16,21,41H,3-4,17-20,22,35H2,(H4,36,37,38)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 5.70E+3n/an/an/an/a



IITB-Monash Research Academy

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from rat brain membrane Cav2.2 after 1 hr by gamma counting method


Bioorg Med Chem 26: 3046-3059 (2018)

More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295697
PNG
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)
Show SMILES NCCCOc1ccccc1C(=O)N(Cc1ccc(OCCCN=C(N)N)cc1)c1nc2ccc(Oc3ccc(O)cc3)cc2s1
Show InChI InChI=1S/C34H36N6O5S/c35-17-3-19-44-30-6-2-1-5-28(30)32(42)40(22-23-7-11-25(12-8-23)43-20-4-18-38-33(36)37)34-39-29-16-15-27(21-31(29)46-34)45-26-13-9-24(41)10-14-26/h1-2,5-16,21,41H,3-4,17-20,22,35H2,(H4,36,37,38)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.78E+3n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair