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BDBM185628 US9156856, 41::US9493431, 41

SMILES: Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=KYOASHBBLYILGZ-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 = 185628   
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)-Homo sapiens (Human))
BDBM185628
PNG
(US9156856, 41 | US9493431, 41)
Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C41H42ClFN8O4S/c1-25-19-26(2)51-39(45-25)46-40(47-51)56(53,54)48-38(52)32-10-9-31(21-36(32)55-37-20-28-12-14-44-35(28)22-34(37)43)50-17-15-49(16-18-50)24-29-11-13-41(3,4)23-33(29)27-5-7-30(42)8-6-27/h5-10,12,14,19-22,44H,11,13,15-18,23-24H2,1-4H3,(H,48,52)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.0530 -14.0n/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)
BDBM185628
PNG
(US9156856, 41 | US9493431, 41)
Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C41H42ClFN8O4S/c1-25-19-26(2)51-39(45-25)46-40(47-51)56(53,54)48-38(52)32-10-9-31(21-36(32)55-37-20-28-12-14-44-35(28)22-34(37)43)50-17-15-49(16-18-50)24-29-11-13-41(3,4)23-33(29)27-5-7-30(42)8-6-27/h5-10,12,14,19-22,44H,11,13,15-18,23-24H2,1-4H3,(H,48,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.0530 -14.0n/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