null

SMILES: CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1

InChI Key: InChIKey=XTDHWJRWVZINPU-XIRDDKMYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 44339   

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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44339 (CHEMBL1625449 | MLS-0391035.0001 | cid_44182271 | ...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1 Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(24-18(26)14(3)21-4)20(28)25-10-6-8-16(25)19(27)23-12-15-7-5-9-22-11-15/h5,7,9,11,13-14,16-17,21H,6,8,10,12H2,1-4H3,(H,23,27)(H,24,26)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay				Bioorg Med Chem Lett 21: 4332-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.049 BindingDB Entry DOI: 10.7270/Q2S46SBD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44339 (CHEMBL1625449 | MLS-0391035.0001 | cid_44182271 | ...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1 Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(24-18(26)14(3)21-4)20(28)25-10-6-8-16(25)19(27)23-12-15-7-5-9-22-11-15/h5,7,9,11,13-14,16-17,21H,6,8,10,12H2,1-4H3,(H,23,27)(H,24,26)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay				Bioorg Med Chem Lett 21: 4332-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.049 BindingDB Entry DOI: 10.7270/Q2S46SBD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44339 (CHEMBL1625449 | MLS-0391035.0001 | cid_44182271 | ...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1 Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(24-18(26)14(3)21-4)20(28)25-10-6-8-16(25)19(27)23-12-15-7-5-9-22-11-15/h5,7,9,11,13-14,16-17,21H,6,8,10,12H2,1-4H3,(H,23,27)(H,24,26)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FN14KV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44339 (CHEMBL1625449 | MLS-0391035.0001 | cid_44182271 | ...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1 Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(24-18(26)14(3)21-4)20(28)25-10-6-8-16(25)19(27)23-12-15-7-5-9-22-11-15/h5,7,9,11,13-14,16-17,21H,6,8,10,12H2,1-4H3,(H,23,27)(H,24,26)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29W0CWK
					More data for this Ligand-Target Pair