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BDBM62147 5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide::5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide::5-[(2-methylphenyl)methyl]-N-[3-(4-morpholinyl)propyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide::6-keto-5-(2-methylbenzyl)-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide::MLS001030841::SMR000635037::cid_5091342

SMILES: Cc1ccccc1CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=BKZWTDSEUPHOEH-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 62147   
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
LANA


(Human herpesvirus 8)
BDBM62147
PNG
(5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylprop...)
Show SMILES Cc1ccccc1CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C29H31N3O3S/c1-21-7-2-3-8-23(21)20-32-25-19-22(28(33)30-13-6-14-31-15-17-35-18-16-31)11-12-27(25)36-26-10-5-4-9-24(26)29(32)34/h2-5,7-12,19H,6,13-18,20H2,1H3,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM62147
PNG
(5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylprop...)
Show SMILES Cc1ccccc1CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C29H31N3O3S/c1-21-7-2-3-8-23(21)20-32-25-19-22(28(33)30-13-6-14-31-15-17-35-18-16-31)11-12-27(25)36-26-10-5-4-9-24(26)29(32)34/h2-5,7-12,19H,6,13-18,20H2,1H3,(H,30,33)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair