BDBM50291768 6,6-Dimethyl-1-(3-phenylselanylmethyl-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL20224

SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(C[Se]c2ccccc2)c1

InChI Key: InChIKey=HWBMRNZBDSXAMA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50291768   

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) (Escherichia coli)	BDBM50291768 (6,6-Dimethyl-1-(3-phenylselanylmethyl-phenyl)-1,6-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(C[Se]c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C18H21N5Se/c1-18(2)22-16(19)21-17(20)23(18)14-8-6-7-13(11-14)12-24-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.80	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 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))	BDBM50291768 (6,6-Dimethyl-1-(3-phenylselanylmethyl-phenyl)-1,6-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(C[Se]c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C18H21N5Se/c1-18(2)22-16(19)21-17(20)23(18)14-8-6-7-13(11-14)12-24-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	20	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)	BDBM50291768 (6,6-Dimethyl-1-(3-phenylselanylmethyl-phenyl)-1,6-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(C[Se]c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C18H21N5Se/c1-18(2)22-16(19)21-17(20)23(18)14-8-6-7-13(11-14)12-24-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	174	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
Thymidylate synthase (TS) (Leishmania major)	BDBM50291768 (6,6-Dimethyl-1-(3-phenylselanylmethyl-phenyl)-1,6-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(C[Se]c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C18H21N5Se/c1-18(2)22-16(19)21-17(20)23(18)14-8-6-7-13(11-14)12-24-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from Leishmania major				J Med Chem 30: 1218-24 (1987) Checked by Author BindingDB Entry DOI: 10.7270/Q21V5FJ0
					More data for this Ligand-Target Pair