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BDBM185597 US9156856, 7::US9493431, 7

SMILES: CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=CBYFMYJFHHCCEW-PGUFJCEWSA-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 = 185597   
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))
BDBM185597
PNG
(US9156856, 7 | US9493431, 7)
Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H47ClN6O5S3/c1-30(2)46(3)22-21-35(29-55-37-10-5-4-6-11-37)44-42-39(49(51)52)27-40(56-42)57(53,54)45-41(50)32-15-19-36(20-16-32)48-25-23-47(24-26-48)28-33-9-7-8-12-38(33)31-13-17-34(43)18-14-31/h4-20,27,30,35,44H,21-26,28-29H2,1-3H3,(H,45,50)/t35-/m1/s1
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0840 -13.7n/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))
BDBM185597
PNG
(US9156856, 7 | US9493431, 7)
Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H47ClN6O5S3/c1-30(2)46(3)22-21-35(29-55-37-10-5-4-6-11-37)44-42-39(49(51)52)27-40(56-42)57(53,54)45-41(50)32-15-19-36(20-16-32)48-25-23-47(24-26-48)28-33-9-7-8-12-38(33)31-13-17-34(43)18-14-31/h4-20,27,30,35,44H,21-26,28-29H2,1-3H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0840 -13.7n/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