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BDBM178861 US9125913, 433

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=BNSDGMSTNVNXSD-UHFFFAOYNA-N

Data: 2 KI

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

Found 2 hits for monomerid = 178861   
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))
BDBM178861
PNG
(US9125913, 433)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:62|
Show InChI InChI=1/C47H53ClN8O8S/c1-47(2)15-14-32(39(24-47)31-6-8-33(48)9-7-31)26-53-16-18-54(19-17-53)34-10-12-38(44(22-34)64-43-5-3-4-41-45(43)51-30-50-41)46(57)52-65(60,61)37-11-13-40(42(23-37)56(58)59)49-25-36-27-55(20-21-63-36)35-28-62-29-35/h3-13,22-23,30,35-36,49H,14-21,24-29H2,1-2H3,(H,50,51)(H,52,57)
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))
BDBM178861
PNG
(US9125913, 433)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1 |c:62|
Show InChI InChI=1/C47H53ClN8O8S/c1-47(2)15-14-32(39(24-47)31-6-8-33(48)9-7-31)26-53-16-18-54(19-17-53)34-10-12-38(44(22-34)64-43-5-3-4-41-45(43)51-30-50-41)46(57)52-65(60,61)37-11-13-40(42(23-37)56(58)59)49-25-36-27-55(20-21-63-36)35-28-62-29-35/h3-13,22-23,30,35-36,49H,14-21,24-29H2,1-2H3,(H,50,51)(H,52,57)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.29n/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