BDBM134282 US8853228, F2M

SMILES: COc1cc(ccc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1C

InChI Key: InChIKey=QLSDCZWWZVSFDC-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 134282   

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))	BDBM134282 (US8853228, F2M) Show SMILES COc1cc(ccc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1C Show InChI InChI=1S/C23H24N4O/c1-14-7-5-6-8-18(14)17-10-12-19(21(13-17)28-4)15(2)9-11-20-16(3)26-23(25)27-22(20)24/h5-8,10,12-13,15H,1-4H3,(H4,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut US Patent					Assay Description Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The ...				US Patent US8853228 (2014) BindingDB Entry DOI: 10.7270/Q2TD9W1T
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Cryptosporidium hominis)	BDBM134282 (US8853228, F2M) Show SMILES COc1cc(ccc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1C Show InChI InChI=1S/C23H24N4O/c1-14-7-5-6-8-18(14)17-10-12-19(21(13-17)28-4)15(2)9-11-20-16(3)26-23(25)27-22(20)24/h5-8,10,12-13,15H,1-4H3,(H4,24,25,26,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut US Patent					Assay Description Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The ...				US Patent US8853228 (2014) BindingDB Entry DOI: 10.7270/Q2TD9W1T
					More data for this Ligand-Target Pair