BDBM240895 US9409888, 17

SMILES: CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O

InChI Key: InChIKey=UOOVZPYCEUOIRH-JXJQUFNJSA-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 = 240895   

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 protein BIR3 (Artificial Sequence)	BDBM240895 (US9409888, 17) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O Show InChI InChI=1S/C57H62Br2N8O8/c1-34(60-3)54(70)62-44-32-64(46-14-10-12-16-48(46)66(56(44)72)30-42-40-24-22-38(58)28-36(40)20-26-50(42)74-5)52(68)18-8-7-9-19-53(69)65-33-45(63-55(71)35(2)61-4)57(73)67(49-17-13-11-15-47(49)65)31-43-41-25-23-39(59)29-37(41)21-27-51(43)75-6/h10-17,20-29,34-35,44-45,60-61H,7-9,18-19,30-33H2,1-6H3,(H,62,70)(H,63,71)/t34-,35-,44-,45-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.65E+3	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US9409888 (2016) BindingDB Entry DOI: 10.7270/Q2R78D4N
					More data for this Ligand-Target Pair
XIAP protein BIR2 (Artificial Sequence)	BDBM240895 (US9409888, 17) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O Show InChI InChI=1S/C57H62Br2N8O8/c1-34(60-3)54(70)62-44-32-64(46-14-10-12-16-48(46)66(56(44)72)30-42-40-24-22-38(58)28-36(40)20-26-50(42)74-5)52(68)18-8-7-9-19-53(69)65-33-45(63-55(71)35(2)61-4)57(73)67(49-17-13-11-15-47(49)65)31-43-41-25-23-39(59)29-37(41)21-27-51(43)75-6/h10-17,20-29,34-35,44-45,60-61H,7-9,18-19,30-33H2,1-6H3,(H,62,70)(H,63,71)/t34-,35-,44-,45-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.307	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US9409888 (2016) BindingDB Entry DOI: 10.7270/Q2R78D4N
					More data for this Ligand-Target Pair