BindingDB PrimarySearch

null

SMILES: COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1

InChI Key: InChIKey=JRVSFZKYQCETAH-OAHLLOKOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50506948
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP2C9 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP2D6 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
cGMP-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of PKG1A (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50506948 (CHEMBL4448806) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISA				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098
AbbVie Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair