BDBM50123449 CHEMBL437996::Chloropeptin II::ISOCOMPLESTATIN
SMILES: [H][C@@]12NC(=O)[C@H](NC(=O)[C@@H](Cc3c[nH]c4cc(ccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@@H](C(O)=O)c2ccc(O)cc2)cc1)c3O)NC(=O)C(=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
InChI Key: InChIKey=JJGZGELTZPACID-UHFFFAOYSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
T-cell surface antigen CD4 (Homo sapiens (Human)) | BDBM50123449 (CHEMBL437996 | Chloropeptin II | ISOCOMPLESTATIN) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM | Bioorg Med Chem Lett 13: 573-5 (2003) BindingDB Entry DOI: 10.7270/Q2416XK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50123449 (CHEMBL437996 | Chloropeptin II | ISOCOMPLESTATIN) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase 3' processing/strand transfer coupled activity | J Nat Prod 64: 874-82 (2001) Article DOI: 10.1021/np000632z BindingDB Entry DOI: 10.7270/Q22N552N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50123449 (CHEMBL437996 | Chloropeptin II | ISOCOMPLESTATIN) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of disintegration activity of HIV1 intact integrase | J Nat Prod 64: 874-82 (2001) Article DOI: 10.1021/np000632z BindingDB Entry DOI: 10.7270/Q22N552N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50123449 (CHEMBL437996 | Chloropeptin II | ISOCOMPLESTATIN) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer activity | J Nat Prod 64: 874-82 (2001) Article DOI: 10.1021/np000632z BindingDB Entry DOI: 10.7270/Q22N552N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50123449 (CHEMBL437996 | Chloropeptin II | ISOCOMPLESTATIN) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of integration activity of HIV1 intact integrase | J Nat Prod 64: 874-82 (2001) Article DOI: 10.1021/np000632z BindingDB Entry DOI: 10.7270/Q22N552N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50123449 (CHEMBL437996 | Chloropeptin II | ISOCOMPLESTATIN) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of disintegration activity of HIV1 integrase catalytic core domain (50 to 212) | J Nat Prod 64: 874-82 (2001) Article DOI: 10.1021/np000632z BindingDB Entry DOI: 10.7270/Q22N552N | |||||||||||
More data for this Ligand-Target Pair |