BDBM18776 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
SMILES: CC(C)Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChI Key: InChIKey=OJICAGOARSTCMM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18776 (5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | -12.1 | 220 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21 (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18776 (5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 28.1 | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology at Thailand | Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... | Antimicrob Agents Chemother 50: 3631-7 (2006) Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |