BDBM50401479 CHEMBL2204569

SMILES: CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@H](CC)NC)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=HESQEMUUNYYXMG-DWIVRWMVSA-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 = 50401479   

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))	BDBM50401479 (CHEMBL2204569) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@H](CC)NC)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C65H93N11O14/c1-5-49(66-3)59(80)73-57-45(22-24-47-26-28-51(75(47)64(57)85)61(82)71-55(42-16-10-7-11-17-42)43-18-12-8-13-19-43)38-70-54(79)41-90-40-53(78)68-30-32-87-34-36-89-37-35-88-33-31-69-63(84)56(44-20-14-9-15-21-44)72-62(83)52-29-27-48-25-23-46(39-77)58(65(86)76(48)52)74-60(81)50(6-2)67-4/h7-21,45-52,55-58,66-67,77H,5-6,22-41H2,1-4H3,(H,68,78)(H,69,84)(H,70,79)(H,71,82)(H,72,83)(H,73,80)(H,74,81)/t45-,46-,47+,48+,49+,50+,51+,52+,56+,57+,58+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.1	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human His-tagged XIAP BIR3 domain (241 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401479 (CHEMBL2204569) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@H](CC)NC)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C65H93N11O14/c1-5-49(66-3)59(80)73-57-45(22-24-47-26-28-51(75(47)64(57)85)61(82)71-55(42-16-10-7-11-17-42)43-18-12-8-13-19-43)38-70-54(79)41-90-40-53(78)68-30-32-87-34-36-89-37-35-88-33-31-69-63(84)56(44-20-14-9-15-21-44)72-62(83)52-29-27-48-25-23-46(39-77)58(65(86)76(48)52)74-60(81)50(6-2)67-4/h7-21,45-52,55-58,66-67,77H,5-6,22-41H2,1-4H3,(H,68,78)(H,69,84)(H,70,79)(H,71,82)(H,72,83)(H,73,80)(H,74,81)/t45-,46-,47+,48+,49+,50+,51+,52+,56+,57+,58+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair