BDBM50097174 CHEMBL3581129
SMILES: COc1cccc(c1)C1CCCN(c2nc(cs2)-c2ccncc2)C1=O
InChI Key: InChIKey=ULFBOWKRIWQPTO-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rho-associated protein kinase 1 (Homo sapiens (Human)) | BDBM50097174 (CHEMBL3581129) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ... | J Med Chem 58: 5028-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b00424 BindingDB Entry DOI: 10.7270/Q2930VXW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human)) | BDBM50097174 (CHEMBL3581129) | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of PKAalpha (1 to 351 amino acids) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase/lactate dehydrogenas... | J Med Chem 58: 5028-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b00424 BindingDB Entry DOI: 10.7270/Q2930VXW | |||||||||||
More data for this Ligand-Target Pair |