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SMILES: Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=GOYLXRTUWKDPDY-UHFFFAOYSA-N

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 = 185635   
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
Apoptosis regulator Bcl-2/Glutathione S-transferase P


(Homo sapiens (Human))
BDBM185635
PNG
(US9156856, 48 | US9493431, 48)
Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(47-28)56-27-43(45)15-21-55-22-16-43)59(53,54)49-39(52)33-12-11-32(23-38(33)57-37-6-4-5-36-35(37)25-46-48-36)51-19-17-50(18-20-51)26-30-13-14-42(2,3)24-34(30)29-7-9-31(44)10-8-29/h4-12,23,25H,13-22,24,26-27H2,1-3H3,(H,46,48)(H,49,52)
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.64 -12.0n/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))
BDBM185635
PNG
(US9156856, 48 | US9493431, 48)
Show SMILES Cc1nc(OCC2(F)CCOCC2)sc1S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]ncc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
Show InChI InChI=1S/C43H48ClFN6O6S2/c1-28-40(58-41(47-28)56-27-43(45)15-21-55-22-16-43)59(53,54)49-39(52)33-12-11-32(23-38(33)57-37-6-4-5-36-35(37)25-46-48-36)51-19-17-50(18-20-51)26-30-13-14-42(2,3)24-34(30)29-7-9-31(44)10-8-29/h4-12,23,25H,13-22,24,26-27H2,1-3H3,(H,46,48)(H,49,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.64 -12.0n/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