BDBM50279271 CHEMBL4168907
SMILES: CN[C@@H](C)C(=O)N(C)[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)C2CCN(C2)c2ncc(cc2-c2ccn[nH]2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c1
InChI Key: InChIKey=FYLZMKXSUQIMJR-GONJBJSBSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50279271 (CHEMBL4168907) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells | ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human)) | BDBM50279271 (CHEMBL4168907) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Inhibition of recombinant human His-tagged cIAP2 (Gln238 to Ser349 residues) expressed in Escherichia coli by TR-FRET assay | ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50279271 (CHEMBL4168907) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Inhibition of recombinant human His-tagged full length ABL1 allosteric site expressed in baculovirus expression system by TR-FRET assay | ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM50279271 (CHEMBL4168907) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells | ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP | |||||||||||
More data for this Ligand-Target Pair |