BDBM25472 CHEMBL519123::N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide::pyrazole-phenyl, 3
SMILES: O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
InChI Key: InChIKey=MCQBNMPALTYSES-UHFFFAOYSA-N
Data: 7 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 |
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Rho-kinase (ROCK II) (Homo sapiens (Human)) | BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | 7.0 | 22 |
The Scripps Research Institute | Assay Description Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we... | J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human)) | BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 186 | n/a | n/a | n/a | n/a | 7.3 | 22 |
The Scripps Research Institute | Assay Description Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started... | J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MRCK alpha (Homo sapiens (Human)) | BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | 7.3 | 22 |
The Scripps Research Institute | Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ... | J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 2/Rho-kinase (ROCK I) (Homo sapiens (Human)) | BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Grenoble Alpes Curated by ChEMBL | Assay Description Inhibition of human ROCK incubated for 20 mins followed by 33P ATP after 120 mins | J Med Chem 63: 490-511 (2020) Article DOI: 10.1021/acs.jmedchem.9b00863 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of ROCK2 (unknown origin) | Bioorg Med Chem Lett 18: 6406-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.080 BindingDB Entry DOI: 10.7270/Q2KK9BMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay | Bioorg Med Chem Lett 18: 6406-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.080 BindingDB Entry DOI: 10.7270/Q2KK9BMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human)) | BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | 7.3 | 22 |
The Scripps Research Institute | Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ... | J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN | |||||||||||
More data for this Ligand-Target Pair |