BDBM205374 US9249151, 20

SMILES: CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2nccnc12

InChI Key: InChIKey=YXPUGWDOIYHMPF-UHFFFAOYSA-N

Data: 2 IC50

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 = 205374   

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
Inhibitor of apoptosis protein 1 (IAP1) (Homo sapiens (Human))	BDBM205374 (US9249151, 20) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2nccnc12 Show InChI InChI=1S/C24H22ClN7O3/c1-13(26-2)23(33)31-19-10-14(21-18(35-3)7-6-16-22(21)28-9-8-27-16)11-20(30-19)32-24(34)17-5-4-15(25)12-29-17/h4-13,26H,1-3H3,(H2,30,31,32,33,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3) (Homo sapiens (Human))	BDBM205374 (US9249151, 20) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2nccnc12 Show InChI InChI=1S/C24H22ClN7O3/c1-13(26-2)23(33)31-19-10-14(21-18(35-3)7-6-16-22(21)28-9-8-27-16)11-20(30-19)32-24(34)17-5-4-15(25)12-29-17/h4-13,26H,1-3H3,(H2,30,31,32,33,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair