BDBM81467 CAS_569-65-3::CHEMBL1085765::Meclizine::NSC_4034::US9182402, 13
SMILES: Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1
InChI Key: InChIKey=OCJYIGYOJCODJL-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 |
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Histamine H1 receptor (RAT) | BDBM81467 (CAS_569-65-3 | CHEMBL1085765 | Meclizine | NSC_403...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by PDSP Ki Database | Proc Natl Acad Sci U S A 75: 6290-4 (1978) Article DOI: 10.1073/pnas.75.12.6290 BindingDB Entry DOI: 10.7270/Q2FN14P6 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM81467 (CAS_569-65-3 | CHEMBL1085765 | Meclizine | NSC_403...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in presence of 0.01% Triton X-100 | J Med Chem 53: 4259-65 (2010) Article DOI: 10.1021/jm100254w BindingDB Entry DOI: 10.7270/Q2222VRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM81467 (CAS_569-65-3 | CHEMBL1085765 | Meclizine | NSC_403...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM81467 (CAS_569-65-3 | CHEMBL1085765 | Meclizine | NSC_403...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100 | J Med Chem 53: 4259-65 (2010) Article DOI: 10.1021/jm100254w BindingDB Entry DOI: 10.7270/Q2222VRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepsin (Homo sapiens (Human)) | BDBM81467 (CAS_569-65-3 | CHEMBL1085765 | Meclizine | NSC_403...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Sus scrofa) | BDBM81467 (CAS_569-65-3 | CHEMBL1085765 | Meclizine | NSC_403...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fred Hutchinson Cancer Research Center US Patent | Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav... | US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7 | |||||||||||
More data for this Ligand-Target Pair |