BDBM50196697 1-benzyl-3-(1H-indazol-5-yl)urea::CHEMBL225282::N-benzyl-N0-(1H-5-indazolyl)urea::US9409868, 12
SMILES: O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
InChI Key: InChIKey=CXBJSHXVWUZPRT-UHFFFAOYSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rho-associated protein kinase 1 (ROCK1) (Homo sapiens (Human)) | BDBM50196697 (1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 1.39E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
H. Lee Moffin Cancer Center and Research Institute, Inc. US Patent | Assay Description A robust FRET-based, enzyme-coupled assay format, Z-Lyte® Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this stu... | US Patent US9409868 (2016) BindingDB Entry DOI: 10.7270/Q2X63KT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 2 (ROCK2) (Homo sapiens (Human)) | BDBM50196697 (1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
H. Lee Moffin Cancer Center and Research Institute, Inc. US Patent | Assay Description A robust FRET-based, enzyme-coupled assay format, Z-Lyte® Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this stu... | US Patent US9409868 (2016) BindingDB Entry DOI: 10.7270/Q2X63KT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 1 (Homo sapiens (Human)) | BDBM50196697 (1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL | Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay | J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50196697 (1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kirin Brewery Co. Ltd Curated by ChEMBL | Assay Description Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemotaxis assay | Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM50196697 (1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...) | 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 | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL | Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay | J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 2/Rho-kinase (ROCK I) (Homo sapiens (Human)) | BDBM50196697 (1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...) | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Kirin Brewery Co. Ltd Curated by ChEMBL | Assay Description Inhibition of Rho kinase | Bioorg Med Chem 15: 350-64 (2006) Article DOI: 10.1016/j.bmc.2006.09.052 BindingDB Entry DOI: 10.7270/Q2T43TW5 | |||||||||||
More data for this Ligand-Target Pair |