BDBM50314455 (S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thiazol-2-yl)pyrrolidin-1-yl)-1-cyclohexyl-2-oxoethyl)-2-(methylamino)propanamide::CHEMBL1094001

SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1noc2ccccc12

InChI Key: InChIKey=YNQNHLWGHBFRFI-BUKVSMQUSA-N

Data: 2 KI

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 = 50314455   

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))	BDBM50314455 ((S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thia...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1noc2ccccc12 |r| Show InChI InChI=1S/C26H33N5O3S/c1-16(27-2)24(32)29-22(17-9-4-3-5-10-17)26(33)31-14-8-12-20(31)25-28-19(15-35-25)23-18-11-6-7-13-21(18)34-30-23/h6-7,11,13,15-17,20,22,27H,3-5,8-10,12,14H2,1-2H3,(H,29,32)/t16-,20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...				Bioorg Med Chem Lett 20: 2229-33 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.02.021 BindingDB Entry DOI: 10.7270/Q298875B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM50314455 ((S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thia...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1noc2ccccc12 |r| Show InChI InChI=1S/C26H33N5O3S/c1-16(27-2)24(32)29-22(17-9-4-3-5-10-17)26(33)31-14-8-12-20(31)25-28-19(15-35-25)23-18-11-6-7-13-21(18)34-30-23/h6-7,11,13,15-17,20,22,27H,3-5,8-10,12,14H2,1-2H3,(H,29,32)/t16-,20-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...				Bioorg Med Chem Lett 20: 2229-33 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.02.021 BindingDB Entry DOI: 10.7270/Q298875B
					More data for this Ligand-Target Pair