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BDBM145087 US8952157, 277::US9303025, 277

SMILES: CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1

InChI Key: InChIKey=KFYYLVDVMSAGKU-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 = 145087   
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))
BDBM145087
PNG
(US8952157, 277 | US9303025, 277)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClFN6O8S/c1-45(2)25-37(30-3-5-33(46)6-4-30)32(28-60-45)27-51-15-17-52(18-16-51)34-7-9-36(42(22-34)61-43-21-31-11-14-48-40(31)24-38(43)47)44(54)50-62(57,58)35-8-10-39(41(23-35)53(55)56)49-26-29-12-19-59-20-13-29/h3-11,14,21-24,29,48-49H,12-13,15-20,25-28H2,1-2H3,(H,50,54)
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Similars

US Patent
0.0170 -14.7n/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))
BDBM145087
PNG
(US8952157, 277 | US9303025, 277)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClFN6O8S/c1-45(2)25-37(30-3-5-33(46)6-4-30)32(28-60-45)27-51-15-17-52(18-16-51)34-7-9-36(42(22-34)61-43-21-31-11-14-48-40(31)24-38(43)47)44(54)50-62(57,58)35-8-10-39(41(23-35)53(55)56)49-26-29-12-19-59-20-13-29/h3-11,14,21-24,29,48-49H,12-13,15-20,25-28H2,1-2H3,(H,50,54)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0170 -14.7n/an/an/an/an/an/a25



AbbVie Inc

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