BDBM7098 (2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide::3-Aminopyrazole deriv. 9::CHEMBL366230

SMILES: C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1

InChI Key: InChIKey=XXLVWAXFJXMBMJ-JTQLQIEISA-N

Data: 2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 7098   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7098 ((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-phenylpro...) Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)15(19)16-14-9-13(17-18-14)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1	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	84	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Biology (CSIR) Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin)				Eur J Med Chem 43: 2807-18 (2008) Article DOI: 10.1016/j.ejmech.2007.10.016 BindingDB Entry DOI: 10.7270/Q2MP5324
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM7098 ((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-phenylpro...) Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)15(19)16-14-9-13(17-18-14)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 48: 2944-56 (2005) Article DOI: 10.1021/jm0408870 BindingDB Entry DOI: 10.7270/Q2WQ020R
					More data for this Ligand-Target Pair				3D Structure (docked)