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2 similar compounds to monomer 95562

Compile data set for download or QSAR
Wt: 354.4
BDBM95518
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Wt: 514.6
BDBM120007

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 95518,120007   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM120007
PNG
(US8697911, 210)
Show SMILES CCN1C(=O)CSc2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1
Show InChI InChI=1S/C29H30N4O3S/c1-3-33-25-15-22(8-10-26(25)37-18-27(33)34)28(35)30-16-19-5-4-6-21(13-19)29(36)31-24-9-7-20-11-12-32(2)17-23(20)14-24/h4-10,13-15H,3,11-12,16-18H2,1-2H3,(H,30,35)(H,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 86n/an/an/an/a7.528



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of ROCKII (1-543) kinase is measured utilizing Cambrex PKLight ATP Detection Reagent, a homogeneous assay technology using luciferin-luc...


US Patent US8697911 (2014)


BindingDB Entry DOI: 10.7270/Q25X27KR
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95518
PNG
(4-benzyl-3-keto-N-sec-butyl-1,4-benzothiazine-6-ca...)
Show SMILES CCC(C)NC(=O)c1ccc2SCC(=O)N(Cc3ccccc3)c2c1
Show InChI InChI=1S/C20H22N2O2S/c1-3-14(2)21-20(24)16-9-10-18-17(11-16)22(19(23)13-25-18)12-15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair