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BDBM178658 US9125913, 224

SMILES: CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCC(O)C2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=DHNKZBFSIIOYQJ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 178658   
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))
BDBM178658
PNG
(US9125913, 224)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCC(O)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H48ClN7O7S/c1-49-18-15-33(16-19-49)47-41-13-9-37(27-42(41)52(55)56)60(57,58)48-44(54)39-10-6-34(26-43(39)59-36-8-12-40-30(25-36)14-17-46-40)51-22-20-50(21-23-51)28-31-24-35(53)7-11-38(31)29-2-4-32(45)5-3-29/h2-6,8-10,12-14,17,25-27,33,35,46-47,53H,7,11,15-16,18-24,28H2,1H3,(H,48,54)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

<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))
BDBM178658
PNG
(US9125913, 224)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CCC(O)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H48ClN7O7S/c1-49-18-15-33(16-19-49)47-41-13-9-37(27-42(41)52(55)56)60(57,58)48-44(54)39-10-6-34(26-43(39)59-36-8-12-40-30(25-36)14-17-46-40)51-22-20-50(21-23-51)28-31-24-35(53)7-11-38(31)29-2-4-32(45)5-3-29/h2-6,8-10,12-14,17,25-27,33,35,46-47,53H,7,11,15-16,18-24,28H2,1H3,(H,48,54)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.999n/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