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BDBM178881 US9125913, 453

SMILES: CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=JLJXTTBIPXLTSF-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 = 178881   
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


(Mus musculus (Mouse))
BDBM178881
PNG
(US9125913, 453)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
Show InChI InChI=1S/C44H50ClN9O6S/c1-44(2)16-15-31(36(27-44)30-7-9-32(45)10-8-30)28-51-19-21-52(22-20-51)33-11-13-35(41(25-33)60-40-6-4-5-38-42(40)47-29-46-38)43(55)49-61(58,59)34-12-14-37(39(26-34)54(56)57)48-53-23-17-50(3)18-24-53/h4-14,25-26,29,48H,15-24,27-28H2,1-3H3,(H,46,47)(H,49,55)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178881
PNG
(US9125913, 453)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cnc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:49|
Show InChI InChI=1S/C44H50ClN9O6S/c1-44(2)16-15-31(36(27-44)30-7-9-32(45)10-8-30)28-51-19-21-52(22-20-51)33-11-13-35(41(25-33)60-40-6-4-5-38-42(40)47-29-46-38)43(55)49-61(58,59)34-12-14-37(39(26-34)54(56)57)48-53-23-17-50(3)18-24-53/h4-14,25-26,29,48H,15-24,27-28H2,1-3H3,(H,46,47)(H,49,55)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.63n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair