BDBM44341 CHEMBL1621001::MLS-0391037.0001::cid_44182275::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(2-methyl-6-quinolinyl)-2-pyrrolidinecarboxamide::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(2-methyl-6-quinolyl)pyrrolidine-2-carboxamide::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(2-methylquinolin-6-yl)pyrrolidine-2-carboxamide::methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(2-methylquinolin-6-yl)pyrrolidine-2-carboxamide

SMILES: CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1

InChI Key: InChIKey=DWYDATMBCCTPOC-NDXORKPFSA-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 = 44341   

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))	BDBM44341 (CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1 Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.94E+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))	BDBM44341 (CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1 Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+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 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))	BDBM44341 (CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1 Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.40E+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))	BDBM44341 (CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1 Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.54E+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