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BDBM185601 US9156856, 11::US9493431, 11

SMILES: CC(=O)Nc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=FYAQPGHLNLPUGG-UHFFFAOYSA-N

Data: 2 KI

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 = 185601   
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
GST-Bcl-2 Protein


(Homo sapiens (Human))
BDBM185601
PNG
(US9156856, 11 | US9493431, 11)
Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C30H30ClN5O4S2/c1-20-29(41-30(32-20)33-21(2)37)42(39,40)34-28(38)23-9-13-26(14-10-23)36-17-15-35(16-18-36)19-24-5-3-4-6-27(24)22-7-11-25(31)12-8-22/h3-14H,15-19H2,1-2H3,(H,34,38)(H,32,33,37)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
177 -9.20n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US9493431 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73HH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM185601
PNG
(US9156856, 11 | US9493431, 11)
Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C30H30ClN5O4S2/c1-20-29(41-30(32-20)33-21(2)37)42(39,40)34-28(38)23-9-13-26(14-10-23)36-17-15-35(16-18-36)19-24-5-3-4-6-27(24)22-7-11-25(31)12-8-22/h3-14H,15-19H2,1-2H3,(H,34,38)(H,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
177 -9.20n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair