BDBM148416 US9682963, 9

SMILES: CC1CC(Sc2ccc(NC(=O)c3cccc(c3)-c3cc(ccc3CN)C(=O)Nc3ccncc3F)cc2)C(=O)O1

InChI Key: InChIKey=DFQZUGCYTNNANC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 148416   

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 2 (Homo sapiens (Human))	BDBM148416 (US9682963, 9) Show SMILES CC1CC(Sc2ccc(NC(=O)c3cccc(c3)-c3cc(ccc3CN)C(=O)Nc3ccncc3F)cc2)C(=O)O1 Show InChI InChI=1S/C31H27FN4O4S/c1-18-13-28(31(39)40-18)41-24-9-7-23(8-10-24)35-29(37)20-4-2-3-19(14-20)25-15-21(5-6-22(25)16-33)30(38)36-27-11-12-34-17-26(27)32/h2-12,14-15,17-18,28H,13,16,33H2,1H3,(H,35,37)(H,34,36,38)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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	7.5	25
Redx Pharma PLC US Patent					Assay Description Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Required cofactor...				US Patent US9682963 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2DZF
					More data for this Ligand-Target Pair
ROCK Complex (Rattus norvegicus (Rat))	BDBM148416 (US9682963, 9) Show SMILES CC1CC(Sc2ccc(NC(=O)c3cccc(c3)-c3cc(ccc3CN)C(=O)Nc3ccncc3F)cc2)C(=O)O1 Show InChI InChI=1S/C31H27FN4O4S/c1-18-13-28(31(39)40-18)41-24-9-7-23(8-10-24)35-29(37)20-4-2-3-19(14-20)25-15-21(5-6-22(25)16-33)30(38)36-27-11-12-34-17-26(27)32/h2-12,14-15,17-18,28H,13,16,33H2,1H3,(H,35,37)(H,34,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Redx Pharma PLC US Patent					Assay Description Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...				US Patent US9682963 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2DZF
					More data for this Ligand-Target Pair