BDBM50199731 CHEMBL244883::methotrexate gamma-hydroxamic acid

SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)NO)C(O)=O

InChI Key: InChIKey=YUQBNZUBNMWBAQ-ZDUSSCGKSA-N

Data: 3 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 3 hits for monomerid = 50199731   

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))	BDBM50199731 (CHEMBL244883 | methotrexate gamma-hydroxamic acid) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)NO)C(O)=O Show InChI InChI=1S/C20H23N9O5/c1-29(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(30)28-34/h2-5,8,13,34H,6-7,9H2,1H3,(H,25,31)(H,28,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior T£cnico Curated by ChEMBL					Assay Description Inhibition of DHFR using dihydrofolic acid substrate				Bioorg Med Chem 15: 1266-74 (2007) Article DOI: 10.1016/j.bmc.2006.11.017 BindingDB Entry DOI: 10.7270/Q2P26ZZX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50199731 (CHEMBL244883 | methotrexate gamma-hydroxamic acid) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)NO)C(O)=O Show InChI InChI=1S/C20H23N9O5/c1-29(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(30)28-34/h2-5,8,13,34H,6-7,9H2,1H3,(H,25,31)(H,28,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior T£cnico Curated by ChEMBL					Assay Description Inhibition of DHFR using folic acid substrate				Bioorg Med Chem 15: 1266-74 (2007) Article DOI: 10.1016/j.bmc.2006.11.017 BindingDB Entry DOI: 10.7270/Q2P26ZZX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50199731 (CHEMBL244883 | methotrexate gamma-hydroxamic acid) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)NO)C(O)=O Show InChI InChI=1S/C20H23N9O5/c1-29(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(30)28-34/h2-5,8,13,34H,6-7,9H2,1H3,(H,25,31)(H,28,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior T£cnico Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP7				Bioorg Med Chem 15: 1266-74 (2007) Article DOI: 10.1016/j.bmc.2006.11.017 BindingDB Entry DOI: 10.7270/Q2P26ZZX
					More data for this Ligand-Target Pair