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SMILES: CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1

InChI Key: InChIKey=LFGRESLGCGHUEH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50506915   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50506915 (CHEMBL4476761) Show SMILES CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50506915 (CHEMBL4476761) Show SMILES CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	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
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1/2 (Homo sapiens (Human))	BDBM50506915 (CHEMBL4476761) Show SMILES CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	961	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
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50506915 (CHEMBL4476761) Show SMILES CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	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
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50506915 (CHEMBL4476761) Show SMILES CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50506915 (CHEMBL4476761) Show SMILES CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	118	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
					More data for this Ligand-Target Pair