BDBM60828 ABT-199::BDBM189459::US10213433, Compound 5::US10377755, Example ABT-199::US9174982, 369
SMILES: CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
InChI Key: InChIKey=LQBVNQSMGBZMKD-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | US Patent | <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. US Patent | Assay Description TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay. | US Patent US10213433 (2019) BindingDB Entry DOI: 10.7270/Q23F4RZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | US Patent | <0.0100 | <-15.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH US Patent | Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr... | US Patent US9174982 (2015) BindingDB Entry DOI: 10.7270/Q2RB73D5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | US Patent | 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. US Patent | Assay Description The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec... | US Patent US9125913 (2015) BindingDB Entry DOI: 10.7270/Q29Z93PP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California, Riverside | Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth... | ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform Bcl-X(L) (Homo sapiens (Human)) | BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California, Riverside | Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth... | ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Newave Pharmaceutical Inc. US Patent | Assay Description The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele... | US Patent US10377755 (2019) BindingDB Entry DOI: 10.7270/Q2BZ68FS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl2-related protein A1 (Bfl-1) (Homo sapiens (Human)) | BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California, Riverside | Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth... | ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California, Riverside | Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth... | ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3 | |||||||||||
More data for this Ligand-Target Pair |