BDBM50084504 CHEMBL3426991

SMILES: Nc1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1

InChI Key: InChIKey=OURCBWJERHUWHH-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50084504   

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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50084504 (CHEMBL3426991) Show SMILES Nc1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1 Show InChI InChI=1S/C21H17N3O/c22-17-6-4-5-14(12-17)15-9-10-19-16(11-15)13-20(24-21(19)25)23-18-7-2-1-3-8-18/h1-13H,22H2,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Competitive inhibition of His6-tagged human recombinant Cdc25B catalytic domain (350 to 566 residues) expressed in Escherichia coli BL21 (D3) after 2...				Bioorg Med Chem 23: 2810-8 (2015) Article DOI: 10.1016/j.bmc.2015.01.043 BindingDB Entry DOI: 10.7270/Q2CJ8G62
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50084504 (CHEMBL3426991) Show SMILES Nc1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1 Show InChI InChI=1S/C21H17N3O/c22-17-6-4-5-14(12-17)15-9-10-19-16(11-15)13-20(24-21(19)25)23-18-7-2-1-3-8-18/h1-13H,22H2,(H2,23,24,25)	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	3.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of Cdc25B-mediated entry in to mitosis in etoposide-treated human U2OS cells incubated for 16 hrs in presence of nocodazole by Hoechst 333...				Bioorg Med Chem 23: 2810-8 (2015) Article DOI: 10.1016/j.bmc.2015.01.043 BindingDB Entry DOI: 10.7270/Q2CJ8G62
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50084504 (CHEMBL3426991) Show SMILES Nc1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1 Show InChI InChI=1S/C21H17N3O/c22-17-6-4-5-14(12-17)15-9-10-19-16(11-15)13-20(24-21(19)25)23-18-7-2-1-3-8-18/h1-13H,22H2,(H2,23,24,25)	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	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant Cdc25B catalytic domain (350 to 566 residues) expressed in Escherichia coli BL21 (D3) using OMFP substrat...				Bioorg Med Chem 23: 2810-8 (2015) Article DOI: 10.1016/j.bmc.2015.01.043 BindingDB Entry DOI: 10.7270/Q2CJ8G62
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50084504 (CHEMBL3426991) Show SMILES Nc1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1 Show InChI InChI=1S/C21H17N3O/c22-17-6-4-5-14(12-17)15-9-10-19-16(11-15)13-20(24-21(19)25)23-18-7-2-1-3-8-18/h1-13H,22H2,(H2,23,24,25)	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	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using OMFP substrate after 20 mins by spectrophotometry				Bioorg Med Chem 23: 2810-8 (2015) Article DOI: 10.1016/j.bmc.2015.01.043 BindingDB Entry DOI: 10.7270/Q2CJ8G62
					More data for this Ligand-Target Pair