BDBM27922 Azabicyclooctane scaffold, 14e::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide

SMILES: [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C

InChI Key: InChIKey=KULASWCGDWKFRQ-WSXGSKLPSA-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 = 27922   

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
XIAP-BIR3 (Homo sapiens (Human))	BDBM27922 (Azabicyclooctane scaffold, 14e | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O4/c1-17(30-5)26(34)32-25(29(2,3)4)28(36)33-16-15-19-11-13-21(24(19)33)31-27(35)23-20-10-8-7-9-18(20)12-14-22(23)37-6/h7-10,12,14,17,19,21,24-25,30H,11,13,15-16H2,1-6H3,(H,31,35)(H,32,34)/t17-,19+,21-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	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
ML-IAP-BIR (Homo sapiens (Human))	BDBM27922 (Azabicyclooctane scaffold, 14e | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O4/c1-17(30-5)26(34)32-25(29(2,3)4)28(36)33-16-15-19-11-13-21(24(19)33)31-27(35)23-20-10-8-7-9-18(20)12-14-22(23)37-6/h7-10,12,14,17,19,21,24-25,30H,11,13,15-16H2,1-6H3,(H,31,35)(H,32,34)/t17-,19+,21-,24-,25+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	-9.39	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