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SMILES: CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c-2c34)nn1C
InChI Key:
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet  | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2057K58 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N] (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N] (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N] (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N] (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2057K58 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2057K58 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2057K58 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptosis regulator Bcl-2 [1-211]/Bad BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa... | Citation and Details BindingDB Entry DOI: 10.7270/Q2057K58 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2057K58 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide (Homo sapiens (Human)) | BDBM572166 ((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w... | Citation and Details BindingDB Entry DOI: 10.7270/Q2NG4TXW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
