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BDBM60820 US10213433, Compound 213::US9174982, 213

SMILES: COCCOCCN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1

InChI Key: InChIKey=MIORPFRMZKJJPG-UHFFFAOYNA-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 = 60820   
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))
BDBM60820
PNG
(US10213433, Compound 213 | US9174982, 213)
Show SMILES COCCOCCN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:54|
Show InChI InChI=1/C49H59ClN8O9S/c1-49(2)14-12-36(43(29-49)34-4-6-37(50)7-5-34)32-55-16-18-57(19-17-55)38-8-10-42(46(27-38)67-39-26-35-13-15-51-47(35)53-30-39)48(59)54-68(62,63)41-9-11-44(45(28-41)58(60)61)52-31-40-33-56(21-23-66-40)20-22-65-25-24-64-3/h4-11,13,15,26-28,30,40,52H,12,14,16-25,29,31-33H2,1-3H3,(H,51,53)(H,54,59)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent




US Patent US10213433 (2019)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM60820
PNG
(US10213433, Compound 213 | US9174982, 213)
Show SMILES COCCOCCN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:54|
Show InChI InChI=1/C49H59ClN8O9S/c1-49(2)14-12-36(43(29-49)34-4-6-37(50)7-5-34)32-55-16-18-57(19-17-55)38-8-10-42(46(27-38)67-39-26-35-13-15-51-47(35)53-30-39)48(59)54-68(62,63)41-9-11-44(45(28-41)58(60)61)52-31-40-33-56(21-23-66-40)20-22-65-25-24-64-3/h4-11,13,15,26-28,30,40,52H,12,14,16-25,29,31-33H2,1-3H3,(H,51,53)(H,54,59)
PDB

UniProtKB/SwissProt

antibodypedia
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