BDBM50407730 CHEMBL176935

SMILES: CCCCCCCCCCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C

InChI Key: InChIKey=PHUIWGMGVRLGCA-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50407730   

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 (DHFR) (Pneumocystis carinii)	BDBM50407730 (CHEMBL176935) Show SMILES CCCCCCCCCCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:19,22| Show InChI InChI=1S/C21H35N5/c1-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)26-20(23)24-19(22)25-21(26,2)3/h13-16H,4-12H2,1-3H3,(H4,22,23,24,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii.				J Med Chem 38: 967-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z039BN
					More data for this Ligand-Target Pair