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BDBM27918 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetamido)-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14a

SMILES: [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C

InChI Key: InChIKey=BGWQMUKSEXDJIL-BQYLOIKFNA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 27918   
Target
(Institution)
LigandTarget
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
ML-IAP-BIR


(Homo sapiens (human))
BDBM27918
PNG
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)
Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
Show InChI InChI=1/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/s2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
82 -9.56n/an/an/an/an/a7.222



Genentech, Inc.



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


J Med Chem 52: 1723-30 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cIAP1-BIR3


(Homo sapiens (human))
BDBM27918
PNG
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)
Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
Show InChI InChI=1/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/s2
PDB

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
129n/an/an/an/an/an/an/an/a



Genentech, Inc.



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


J Med Chem 52: 1723-30 (2009)

More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (human))
BDBM27918
PNG
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)
Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
Show InChI InChI=1/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
570n/an/an/an/an/an/an/an/a



Genentech, Inc.



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


J Med Chem 52: 1723-30 (2009)

More data for this
Ligand-Target Pair