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BDBM145128 US8952157, 319::US9303025, 319

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=XUXPJQCSSNKAJT-UHFFFAOYSA-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 = 145128   
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))
BDBM145128
PNG
(US8952157, 319 | US9303025, 319)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51ClFN7O8S2/c1-46(2)16-12-32(38(28-46)30-4-6-33(47)7-5-30)29-52-20-22-53(23-21-52)35-8-10-37(43(25-35)63-44-24-31-13-17-49-41(31)27-39(44)48)45(56)51-65(61,62)36-9-11-40(42(26-36)55(57)58)50-34-14-18-54(19-15-34)64(3,59)60/h4-11,13,17,24-27,34,49-50H,12,14-16,18-23,28-29H2,1-3H3,(H,51,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.198 -13.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145128
PNG
(US8952157, 319 | US9303025, 319)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51ClFN7O8S2/c1-46(2)16-12-32(38(28-46)30-4-6-33(47)7-5-30)29-52-20-22-53(23-21-52)35-8-10-37(43(25-35)63-44-24-31-13-17-49-41(31)27-39(44)48)45(56)51-65(61,62)36-9-11-40(42(26-36)55(57)58)50-34-14-18-54(19-15-34)64(3,59)60/h4-11,13,17,24-27,34,49-50H,12,14-16,18-23,28-29H2,1-3H3,(H,51,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.198 -13.2n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair