BDBM50157638 CHEMBL3787137

SMILES: OC(Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12)Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12

InChI Key: InChIKey=BNNUSMGZUFNNHO-VYTBREFCSA-N

Data: 1 KI  1 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 = 50157638   

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))	BDBM50157638 (CHEMBL3787137) Show SMILES OC(Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12)Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12 Show InChI InChI=1S/C37H28N4O3/c42-25(21-40-19-23(26-9-3-7-15-34(26)40)17-30-28-11-1-5-13-32(28)38-36(30)43)22-41-20-24(27-10-4-8-16-35(27)41)18-31-29-12-2-6-14-33(29)39-37(31)44/h1-20,25,42H,21-22H2,(H,38,43)(H,39,44)/b30-17-,31-18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH				Bioorg Med Chem Lett 26: 1936-40 (2016) BindingDB Entry DOI: 10.7270/Q2DB83RX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50157638 (CHEMBL3787137) Show SMILES OC(Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12)Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12 Show InChI InChI=1S/C37H28N4O3/c42-25(21-40-19-23(26-9-3-7-15-34(26)40)17-30-28-11-1-5-13-32(28)38-36(30)43)22-41-20-24(27-10-4-8-16-35(27)41)18-31-29-12-2-6-14-33(29)39-37(31)44/h1-20,25,42H,21-22H2,(H,38,43)(H,39,44)/b30-17-,31-18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH				Bioorg Med Chem Lett 26: 1936-40 (2016) BindingDB Entry DOI: 10.7270/Q2DB83RX
					More data for this Ligand-Target Pair