null

SMILES: COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N

InChI Key: InChIKey=LUBRVLUNYNBWGR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50141015   

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 (Homo sapiens (Human))	BDBM50141015 (4-{2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H22N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,2-3,11H2,1H3,(H,26,27)(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50141015 (4-{2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H22N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,2-3,11H2,1H3,(H,26,27)(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihdrofolate reductace enzyme of Pneumocystis carinii				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50141015 (4-{2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H22N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,2-3,11H2,1H3,(H,26,27)(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50141015 (4-{2-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-metho...) Show SMILES COc1ccc(CCc2ccc(cc2)C(O)=O)cc1Cc1cnc(N)nc1N Show InChI InChI=1S/C21H22N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,2-3,11H2,1H3,(H,26,27)(H4,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory concentration against dihydrofolate reductase of rat liver				J Med Chem 47: 1475-86 (2004) Article DOI: 10.1021/jm030438k BindingDB Entry DOI: 10.7270/Q2SJ1K14
					More data for this Ligand-Target Pair