BDBM50405074 CHEMBL34627

SMILES: CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)C(N)=O)cc1

InChI Key: InChIKey=MLTKDWLEKHRAFC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50405074   

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 (Gallus gallus (Chicken))	BDBM50405074 (CHEMBL34627) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)C(N)=O)cc1 |t:3,6| Show InChI InChI=1S/C19H22N6O2/c1-19(2)24-17(21)23-18(22)25(19)14-7-9-15(10-8-14)27-11-12-3-5-13(6-4-12)16(20)26/h3-10H,11H2,1-2H3,(H2,20,26)(H4,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	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 (Homo sapiens (Human))	BDBM50405074 (CHEMBL34627) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)C(N)=O)cc1 |t:3,6| Show InChI InChI=1S/C19H22N6O2/c1-19(2)24-17(21)23-18(22)25(19)14-7-9-15(10-8-14)27-11-12-3-5-13(6-4-12)16(20)26/h3-10H,11H2,1-2H3,(H2,20,26)(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59	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 human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50405074 (CHEMBL34627) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)C(N)=O)cc1 |t:3,6| Show InChI InChI=1S/C19H22N6O2/c1-19(2)24-17(21)23-18(22)25(19)14-7-9-15(10-8-14)27-11-12-3-5-13(6-4-12)16(20)26/h3-10H,11H2,1-2H3,(H2,20,26)(H4,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.34E+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