BDBM50405085 CHEMBL6771

SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2ccccc2)c1

InChI Key: InChIKey=JYQPPEYHIYLTBZ-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 = 50405085   

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)	BDBM50405085 (CHEMBL6771) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C21H27N5O2/c1-21(2)25-19(22)24-20(23)26(21)16-9-8-12-18(15-16)28-14-7-6-13-27-17-10-4-3-5-11-17/h3-5,8-12,15H,6-7,13-14H2,1-2H3,(H4,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	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 (DHFR) (Pneumocystis carinii)	BDBM50405085 (CHEMBL6771) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C21H27N5O2/c1-21(2)25-19(22)24-20(23)26(21)16-9-8-12-18(15-16)28-14-7-6-13-27-17-10-4-3-5-11-17/h3-5,8-12,15H,6-7,13-14H2,1-2H3,(H4,22,23,24,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38.0	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
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405085 (CHEMBL6771) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C21H27N5O2/c1-21(2)25-19(22)24-20(23)26(21)16-9-8-12-18(15-16)28-14-7-6-13-27-17-10-4-3-5-11-17/h3-5,8-12,15H,6-7,13-14H2,1-2H3,(H4,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	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