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BDBM189464 US10213433, Compound 10::US9174982, 10

SMILES: COCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=SGFNZHPUMCITBS-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 = 189464   
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


(Homo sapiens (Human))
BDBM189464
PNG
(US10213433, Compound 10 | US9174982, 10)
Show SMILES COCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45|
Show InChI InChI=1S/C42H46ClN7O7S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-48-17-19-49(20-18-48)32-8-10-35(39(23-32)57-33-22-29-13-15-45-40(29)46-26-33)41(51)47-58(54,55)34-9-11-37(44-16-21-56-3)38(24-34)50(52)53/h4-11,13,15,22-24,26,44H,12,14,16-21,25,27H2,1-3H3,(H,45,46)(H,47,51)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189464
PNG
(US10213433, Compound 10 | US9174982, 10)
Show SMILES COCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:45|
Show InChI InChI=1S/C42H46ClN7O7S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-48-17-19-49(20-18-48)32-8-10-35(39(23-32)57-33-22-29-13-15-45-40(29)46-26-33)41(51)47-58(54,55)34-9-11-37(44-16-21-56-3)38(24-34)50(52)53/h4-11,13,15,22-24,26,44H,12,14,16-21,25,27H2,1-3H3,(H,45,46)(H,47,51)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair