BDBM50291777 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzamide::3-(4,6-diamino-2,2-dimethyl-1,2-dihydro-1,3,5-triazin-1-yl)benzamide::CHEMBL20911

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

InChI Key: InChIKey=JLCDXYUIYXCSEW-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50291777   

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)	BDBM50291777 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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 (DHFR) (Escherichia coli)	BDBM50291777 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	933	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 (DHFR) (Escherichia coli)	BDBM50291777 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.24E+3	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))	BDBM50291777 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.51E+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 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
Thymidylate synthase (TS) (Leishmania major)	BDBM50291777 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.18E+5	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
Dihydrofolate reductase (Escherichia coli)	BDBM50291777 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.31E+5	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
Dihydrofolate reductase type 1 (Escherichia coli)	BDBM50291777 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.31E+5	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