BDBM84507 Acyclic analogue, 13

SMILES: COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc[nH]1

InChI Key: InChIKey=PTLAVAHBYXBBIS-JUIIQYEISA-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 = 84507   

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
phosphatase Cdc25 (Homo sapiens (Human))	BDBM84507 (Acyclic analogue, 13) Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc[nH]1 |c:4,t:2| Show InChI InChI=1S/C20H21N3O/c1-3-4-5-6-8-15-10-11-16(22-15)13-19-20(24-2)14-18(23-19)17-9-7-12-21-17/h3,7,9-14H,1,4-6,8H2,2H3/b16-13-,18-17-	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	8.0	37
Max-Planck-Institut für Kohlenforschung					Assay Description Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...				Chembiochem 5: 1575-9 (2004) Article DOI: 10.1002/cbic.200400135 BindingDB Entry DOI: 10.7270/Q2QF8RCP
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM84507 (Acyclic analogue, 13) Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc[nH]1 |c:4,t:2| Show InChI InChI=1S/C20H21N3O/c1-3-4-5-6-8-15-10-11-16(22-15)13-19-20(24-2)14-18(23-19)17-9-7-12-21-17/h3,7,9-14H,1,4-6,8H2,2H3/b16-13-,18-17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	6.5	37
Max-Planck-Institut für Kohlenforschung					Assay Description Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...				Chembiochem 5: 1575-9 (2004) Article DOI: 10.1002/cbic.200400135 BindingDB Entry DOI: 10.7270/Q2QF8RCP
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM84507 (Acyclic analogue, 13) Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc[nH]1 |c:4,t:2| Show InChI InChI=1S/C20H21N3O/c1-3-4-5-6-8-15-10-11-16(22-15)13-19-20(24-2)14-18(23-19)17-9-7-12-21-17/h3,7,9-14H,1,4-6,8H2,2H3/b16-13-,18-17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.2	37
Max-Planck-Institut für Kohlenforschung					Assay Description Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...				Chembiochem 5: 1575-9 (2004) Article DOI: 10.1002/cbic.200400135 BindingDB Entry DOI: 10.7270/Q2QF8RCP
					More data for this Ligand-Target Pair