BDBM44289 (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-N-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]butanamide;formic acid::(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]butanamide;formic acid::(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(1S)-2-keto-1-methyl-2-(1-naphthylamino)ethyl]-3-methyl-butyramide;formic acid::(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-N-[(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]butanamide;methanoic acid::CHEMBL1617615::MLS-0412114.0001::cid_44176346

SMILES: CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12

InChI Key: InChIKey=NUXOKPCTWFCPBI-DEYYWGMASA-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 = 44289   

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))	BDBM44289 ((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C21H28N4O3/c1-12(2)18(25-19(26)13(3)22)21(28)23-14(4)20(27)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-14,18H,22H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t13-,14-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	640	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 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 4253-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.096 BindingDB Entry DOI: 10.7270/Q2BC40ZK
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM44289 ((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C21H28N4O3/c1-12(2)18(25-19(26)13(3)22)21(28)23-14(4)20(27)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-14,18H,22H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t13-,14-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.02E+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-BIR3 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 4253-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.096 BindingDB Entry DOI: 10.7270/Q2BC40ZK
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM44289 ((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C21H28N4O3/c1-12(2)18(25-19(26)13(3)22)21(28)23-14(4)20(27)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-14,18H,22H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t13-,14-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.80E+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))	BDBM44289 ((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C21H28N4O3/c1-12(2)18(25-19(26)13(3)22)21(28)23-14(4)20(27)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-14,18H,22H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t13-,14-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.03E+5	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