BDBM50291771 CHEMBL20528::{3-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzyloxy]-phenyl}-urea

SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1

InChI Key: InChIKey=QUJOYPHCUFJRJV-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 = 50291771   

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) (Pneumocystis carinii)	BDBM50291771 (CHEMBL20528 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N7O2/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-28-15-8-4-6-13(10-15)23-18(22)27/h3-10H,11H2,1-2H3,(H3,22,23,27)(H4,20,21,24,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.57	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 (Lactobacillus casei)	BDBM50291771 (CHEMBL20528 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N7O2/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-28-15-8-4-6-13(10-15)23-18(22)27/h3-10H,11H2,1-2H3,(H3,22,23,27)(H4,20,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.40	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))	BDBM50291771 (CHEMBL20528 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N7O2/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-28-15-8-4-6-13(10-15)23-18(22)27/h3-10H,11H2,1-2H3,(H3,22,23,27)(H4,20,21,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	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)	BDBM50291771 (CHEMBL20528 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N7O2/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-28-15-8-4-6-13(10-15)23-18(22)27/h3-10H,11H2,1-2H3,(H3,22,23,27)(H4,20,21,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91.2	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 type 1 (Escherichia coli)	BDBM50291771 (CHEMBL20528 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N7O2/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-28-15-8-4-6-13(10-15)23-18(22)27/h3-10H,11H2,1-2H3,(H3,22,23,27)(H4,20,21,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+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