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SMILES: FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12

InChI Key: InChIKey=JARCMQJIDMONGB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 197984   

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))	BDBM197984 (US9221767, 48 | US9926282, Example 48) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C25H15F3N4O2S/c26-25(27,28)16-9-5-15(6-10-16)24-30-20(13-35-24)23(34)29-17-11-7-14(8-12-17)21-18-3-1-2-4-19(18)22(33)32-31-21/h1-13H,(H,29,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	670	n/a	n/a	n/a	n/a	7.5	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US9221767 (2015) BindingDB Entry DOI: 10.7270/Q2JW8CP3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM197984 (US9221767, 48 | US9926282, Example 48) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C25H15F3N4O2S/c26-25(27,28)16-9-5-15(6-10-16)24-30-20(13-35-24)23(34)29-17-11-7-14(8-12-17)21-18-3-1-2-4-19(18)22(33)32-31-21/h1-13H,(H,29,34)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q2445PSQ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM197984 (US9221767, 48 | US9926282, Example 48) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C25H15F3N4O2S/c26-25(27,28)16-9-5-15(6-10-16)24-30-20(13-35-24)23(34)29-17-11-7-14(8-12-17)21-18-3-1-2-4-19(18)22(33)32-31-21/h1-13H,(H,29,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q2445PSQ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM197984 (US9221767, 48 | US9926282, Example 48) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 Show InChI InChI=1S/C25H15F3N4O2S/c26-25(27,28)16-9-5-15(6-10-16)24-30-20(13-35-24)23(34)29-17-11-7-14(8-12-17)21-18-3-1-2-4-19(18)22(33)32-31-21/h1-13H,(H,29,34)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US9221767 (2015) BindingDB Entry DOI: 10.7270/Q2JW8CP3
					More data for this Ligand-Target Pair