BDBM27921 Azabicyclooctane scaffold, 14d::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide

SMILES: [H][C@]12CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C

InChI Key: InChIKey=ZDFJYYRBUSKIOX-BVPJHWTISA-N

Data: 2 KI

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 = 27921   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
ML-IAP-BIR (Homo sapiens (Human))	BDBM27921 (Azabicyclooctane scaffold, 14d | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O3/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34)/t18-,19+,23-,24-,25+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	-9.72	n/a	n/a	n/a	n/a	n/a	7.2	22
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) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H
					More data for this Ligand-Target Pair				3D Structure (docked)
XIAP-BIR3 (Homo sapiens (Human))	BDBM27921 (Azabicyclooctane scaffold, 14d | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O3/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34)/t18-,19+,23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H
					More data for this Ligand-Target Pair