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BDBM185612 US9156856, 23::US9493431, 23

SMILES: Cc1cc(-c2oncc2S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)n(C)n1

InChI Key: InChIKey=AXJQZFASFUNMSC-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 = 185612   
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))
BDBM185612
PNG
(US9156856, 23 | US9493431, 23)
Show SMILES Cc1cc(-c2oncc2S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)n(C)n1
Show InChI InChI=1S/C32H31ClN6O4S/c1-22-19-29(37(2)35-22)31-30(20-34-43-31)44(41,42)36-32(40)24-9-13-27(14-10-24)39-17-15-38(16-18-39)21-25-5-3-4-6-28(25)23-7-11-26(33)12-8-23/h3-14,19-20H,15-18,21H2,1-2H3,(H,36,40)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
447 -8.66n/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))
BDBM185612
PNG
(US9156856, 23 | US9493431, 23)
Show SMILES Cc1cc(-c2oncc2S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)n(C)n1
Show InChI InChI=1S/C32H31ClN6O4S/c1-22-19-29(37(2)35-22)31-30(20-34-43-31)44(41,42)36-32(40)24-9-13-27(14-10-24)39-17-15-38(16-18-39)21-25-5-3-4-6-28(25)23-7-11-26(33)12-8-23/h3-14,19-20H,15-18,21H2,1-2H3,(H,36,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
447 -8.66n/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