BDBM44291 (2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxopentyl]-2-pyrrolidinecarboxamide;formic acid::(2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide;methanoic acid::(2S)-N-benzhydryl-1-[(2S)-4-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide;formic acid::CHEMBL1620862::MLS-0391026.0001::cid_44182152

SMILES: CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=SNCOENIEQCFFEY-OYDLWJJNSA-N

Data: 2 KI  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 4 hits for monomerid = 44291   

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))	BDBM44291 ((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM44291 ((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.67E+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 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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM44291 ((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.50E+3	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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM44291 ((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.20E+3	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