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BDBM60818 US9174982, 203

SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4C[C@H]5C[C@@H]4[C@@H](O)[C@@H]5O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1

InChI Key: InChIKey=ABNDWSBVTMQGRD-GIVYPSCKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 60818   
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))
BDBM60818
PNG
(US9174982, 203)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4C[C@H]5C[C@@H]4[C@@H](O)[C@@H]5O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN7O8S/c1-46(2)13-11-29(37(24-46)27-3-5-31(47)6-4-27)26-52-15-17-53(18-16-52)32-7-9-35(41(22-32)62-33-19-28-12-14-48-44(28)49-25-33)45(57)51-63(60,61)34-8-10-38(40(23-34)54(58)59)50-39-21-30-20-36(39)43(56)42(30)55/h3-10,12,14,19,22-23,25,30,36,39,42-43,50,55-56H,11,13,15-18,20-21,24,26H2,1-2H3,(H,48,49)(H,51,57)/t30-,36+,39?,42-,43-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

<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