BDBM50259598 3-{[(1R)-1-Phenylethyl]amino}-4-(1H-pyrazol-3-ylamino)cyclobut-3-ene-1,2-dione::CHEMBL524472

SMILES: C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1

InChI Key: InChIKey=MTSGTWVVCJFRLJ-SECBINFHSA-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 = 50259598   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50259598 (3-{[(1R)-1-Phenylethyl]amino}-4-(1H-pyrazol-3-ylam...) Show SMILES C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C15H14N4O2/c1-9(10-5-3-2-4-6-10)17-12-13(15(21)14(12)20)18-11-7-8-16-19-11/h2-9,17H,1H3,(H2,16,18,19)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50259598 (3-{[(1R)-1-Phenylethyl]amino}-4-(1H-pyrazol-3-ylam...) Show SMILES C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C15H14N4O2/c1-9(10-5-3-2-4-6-10)17-12-13(15(21)14(12)20)18-11-7-8-16-19-11/h2-9,17H,1H3,(H2,16,18,19)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50259598 (3-{[(1R)-1-Phenylethyl]amino}-4-(1H-pyrazol-3-ylam...) Show SMILES C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C15H14N4O2/c1-9(10-5-3-2-4-6-10)17-12-13(15(21)14(12)20)18-11-7-8-16-19-11/h2-9,17H,1H3,(H2,16,18,19)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair