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BDBM21404 4-{4-benzyl-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4.5]decan-8-yl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]benzamide::Spirocyclic Oxazolidin-4-one, 18

SMILES: CC1OC2(CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)N(Cc2ccccc2)C1=O

InChI Key: InChIKey=YOWVHFCSBZXUDJ-CUPMVOCTSA-N

Data: 2 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21404   
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM21404
PNG
(4-{4-benzyl-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4....)
Show SMILES CC1OC2(CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C40H46N6O7S2/c1-29-39(48)45(27-30-10-6-4-7-11-30)40(53-29)21-24-44(25-22-40)33-16-14-31(15-17-33)38(47)42-55(51,52)35-18-19-36(37(26-35)46(49)50)41-32(20-23-43(2)3)28-54-34-12-8-5-9-13-34/h4-19,26,29,32,41H,20-25,27-28H2,1-3H3,(H,42,47)/t29?,32-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.70 -11.5n/an/a>2.00E+4n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21404
PNG
(4-{4-benzyl-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4....)
Show SMILES CC1OC2(CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C40H46N6O7S2/c1-29-39(48)45(27-30-10-6-4-7-11-30)40(53-29)21-24-44(25-22-40)33-16-14-31(15-17-33)38(47)42-55(51,52)35-18-19-36(37(26-35)46(49)50)41-32(20-23-43(2)3)28-54-34-12-8-5-9-13-34/h4-19,26,29,32,41H,20-25,27-28H2,1-3H3,(H,42,47)/t29?,32-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.60n/an/an/a>5.00E+4n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair