BDBM50543112 EVOFOSFAMIDE::Evofosfamide::HAP-302::TH-302

SMILES: Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O

InChI Key: InChIKey=UGJWRPJDTDGERK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50543112   

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
Enolase 1 (ENO1) (Homo sapiens (Human))	BDBM50543112 (EVOFOSFAMIDE | Evofosfamide | HAP-302 | TH-302) Show SMILES Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O Show InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotomet...				ACS Med Chem Lett 11: 1484-1489 (2020)
					More data for this Ligand-Target Pair
Enolase 1 (ENO1) (Homo sapiens (Human))	BDBM50543112 (EVOFOSFAMIDE | Evofosfamide | HAP-302 | TH-302) Show SMILES Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O Show InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	897	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometry				ACS Med Chem Lett 11: 1484-1489 (2020)
					More data for this Ligand-Target Pair
Enolase 1 (ENO1) (Homo sapiens (Human))	BDBM50543112 (EVOFOSFAMIDE | Evofosfamide | HAP-302 | TH-302) Show SMILES Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O Show InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometr...				ACS Med Chem Lett 11: 1484-1489 (2020)
					More data for this Ligand-Target Pair
Enolase 1 (ENO1) (Homo sapiens (Human))	BDBM50543112 (EVOFOSFAMIDE | Evofosfamide | HAP-302 | TH-302) Show SMILES Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O Show InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotometry				ACS Med Chem Lett 11: 1484-1489 (2020)
					More data for this Ligand-Target Pair