BDBM50239424 CHEMBL4090609

SMILES: CCCC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O

InChI Key: InChIKey=OWKVMNZTKAZLGY-IEBWSBKVSA-N

Data: 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 = 50239424   

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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50239424 (CHEMBL4090609) Show SMILES CCCC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O |r| Show InChI InChI=1S/C25H37F2N5O2/c1-5-8-25(26,27)18-10-20-23(29-11-18)24(3,4)16-32(20)22(34)15-31-13-17(2)28-12-19(31)14-30-9-6-7-21(30)33/h10-11,17,19,28H,5-9,12-16H2,1-4H3/t17-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 60: 4611-4625 (2017) Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50239424 (CHEMBL4090609) Show SMILES CCCC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O |r| Show InChI InChI=1S/C25H37F2N5O2/c1-5-8-25(26,27)18-10-20-23(29-11-18)24(3,4)16-32(20)22(34)15-31-13-17(2)28-12-19(31)14-30-9-6-7-21(30)33/h10-11,17,19,28H,5-9,12-16H2,1-4H3/t17-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 60: 4611-4625 (2017) Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7
					More data for this Ligand-Target Pair