BDBM7007 Indenopyrazole deriv. 6::N-[3-(4-methoxyphenyl)-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl]-2-methylpropanamide
SMILES: COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)C(C)C)c3C(=O)c12
InChI Key: InChIKey=JKYJMEJOTVNJIB-UHFFFAOYSA-N
Data: 3 IC50
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 4 (CDK4) (Homo sapiens (Human)) | BDBM7007 (Indenopyrazole deriv. 6 | N-[3-(4-methoxyphenyl)-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | 7.6 | 22 |
DuPont Merck Pharmaceutical Company | Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se... | J Med Chem 44: 1334-6 (2001) Article DOI: 10.1021/jm0100032 BindingDB Entry DOI: 10.7270/Q2DN4387 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM7007 (Indenopyrazole deriv. 6 | N-[3-(4-methoxyphenyl)-4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin E (unknown origin) | Eur J Med Chem 108: 701-19 (2016) BindingDB Entry DOI: 10.7270/Q22J6DQD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM7007 (Indenopyrazole deriv. 6 | N-[3-(4-methoxyphenyl)-4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | 7.6 | 22 |
DuPont Merck Pharmaceutical Company | Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se... | J Med Chem 44: 1334-6 (2001) Article DOI: 10.1021/jm0100032 BindingDB Entry DOI: 10.7270/Q2DN4387 | |||||||||||
More data for this Ligand-Target Pair |