BDBM50405067 CHEMBL32063

SMILES: CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C

InChI Key: InChIKey=JBQZDFMQAURRMI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50405067   

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 (Lactobacillus casei)	BDBM50405067 (CHEMBL32063) Show SMILES CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:15,18| Show InChI InChI=1S/C17H27N5/c1-4-5-6-7-9-13-10-8-11-14(12-13)22-16(19)20-15(18)21-17(22,2)3/h8,10-12H,4-7,9H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)				J Med Chem 24: 1422-9 (1981) BindingDB Entry DOI: 10.7270/Q2VM4FF9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405067 (CHEMBL32063) Show SMILES CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:15,18| Show InChI InChI=1S/C17H27N5/c1-4-5-6-7-9-13-10-8-11-14(12-13)22-16(19)20-15(18)21-17(22,2)3/h8,10-12H,4-7,9H2,1-3H3,(H4,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50405067 (CHEMBL32063) Show SMILES CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:15,18| Show InChI InChI=1S/C17H27N5/c1-4-5-6-7-9-13-10-8-11-14(12-13)22-16(19)20-15(18)21-17(22,2)3/h8,10-12H,4-7,9H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair
Dihydrofolate reductase type 1 (Escherichia coli)	BDBM50405067 (CHEMBL32063) Show SMILES CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:15,18| Show InChI InChI=1S/C17H27N5/c1-4-5-6-7-9-13-10-8-11-14(12-13)22-16(19)20-15(18)21-17(22,2)3/h8,10-12H,4-7,9H2,1-3H3,(H4,18,19,20,21)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 28: 1910-6 (1985) BindingDB Entry DOI: 10.7270/Q2G44SH3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405067 (CHEMBL32063) Show SMILES CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:15,18| Show InChI InChI=1S/C17H27N5/c1-4-5-6-7-9-13-10-8-11-14(12-13)22-16(19)20-15(18)21-17(22,2)3/h8,10-12H,4-7,9H2,1-3H3,(H4,18,19,20,21)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uniroyal Chemical Co., Inc. Curated by ChEMBL					Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase				J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ
					More data for this Ligand-Target Pair