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BDBM178667 US9125913, 234

SMILES: CN1CC[C@@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=YENNOLACGCZVRA-UMSFTDKQSA-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 = 178667   
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))
BDBM178667
PNG
(US9125913, 234)
Show SMILES CN1CC[C@@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50ClN7O6S/c1-45(2)17-14-32(39(27-45)30-4-6-33(46)7-5-30)28-51-20-22-52(23-21-51)35-8-11-38(43(25-35)59-36-9-12-40-31(24-36)15-18-47-40)44(54)49-60(57,58)37-10-13-41(42(26-37)53(55)56)48-34-16-19-50(3)29-34/h4-13,15,18,24-26,34,47-48H,14,16-17,19-23,27-29H2,1-3H3,(H,49,54)/t34-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.369n/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))
BDBM178667
PNG
(US9125913, 234)
Show SMILES CN1CC[C@@H](C1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50ClN7O6S/c1-45(2)17-14-32(39(27-45)30-4-6-33(46)7-5-30)28-51-20-22-52(23-21-51)35-8-11-38(43(25-35)59-36-9-12-40-31(24-36)15-18-47-40)44(54)49-60(57,58)37-10-13-41(42(26-37)53(55)56)48-34-16-19-50(3)29-34/h4-13,15,18,24-26,34,47-48H,14,16-17,19-23,27-29H2,1-3H3,(H,49,54)/t34-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
24.5n/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