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BDBM185617 US9156856, 28::US9493431, 28

SMILES: CCC(CC)NC(=O)c1nnc(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=FHCPVWOUDACGTP-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 = 185617   
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))
BDBM185617
PNG
(US9156856, 28 | US9493431, 28)
Show SMILES CCC(CC)NC(=O)c1nnc(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C32H35ClN6O4S2/c1-3-26(4-2)34-30(41)31-35-36-32(44-31)45(42,43)37-29(40)23-11-15-27(16-12-23)39-19-17-38(18-20-39)21-24-7-5-6-8-28(24)22-9-13-25(33)14-10-22/h5-16,26H,3-4,17-21H2,1-2H3,(H,34,41)(H,37,40)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
417 -8.70n/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))
BDBM185617
PNG
(US9156856, 28 | US9493431, 28)
Show SMILES CCC(CC)NC(=O)c1nnc(s1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C32H35ClN6O4S2/c1-3-26(4-2)34-30(41)31-35-36-32(44-31)45(42,43)37-29(40)23-11-15-27(16-12-23)39-19-17-38(18-20-39)21-24-7-5-6-8-28(24)22-9-13-25(33)14-10-22/h5-16,26H,3-4,17-21H2,1-2H3,(H,34,41)(H,37,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
417 -8.70n/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