BDBM18777 5-(4-chlorophenyl)-6-nonylpyrimidine-2,4-diamine

SMILES: CCCCCCCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

InChI Key: InChIKey=ATSIGWFFNCHDIA-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18777   

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))	BDBM18777 (5-(4-chlorophenyl)-6-nonylpyrimidine-2,4-diamine) Show SMILES CCCCCCCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H27ClN4/c1-2-3-4-5-6-7-8-9-16-17(18(21)24-19(22)23-16)14-10-12-15(20)13-11-14/h10-13H,2-9H2,1H3,(H4,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.29	-11.4	2.20E+3	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))	BDBM18777 (5-(4-chlorophenyl)-6-nonylpyrimidine-2,4-diamine) Show SMILES CCCCCCCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H27ClN4/c1-2-3-4-5-6-7-8-9-16-17(18(21)24-19(22)23-16)14-10-12-15(20)13-11-14/h10-13H,2-9H2,1H3,(H4,21,22,23,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24.5	n/a	>5.00E+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)