BDBM50358495 CHEMBL1923182

SMILES: COc1cccc(c1)[C@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1

InChI Key: InChIKey=JAWPAUHQCGKVGI-LBPRGKRZSA-N

Data: 2 IC50

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 = 50358495   

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))	BDBM50358495 (CHEMBL1923182) Show SMILES COc1cccc(c1)[C@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK1				Bioorg Med Chem Lett 21: 7107-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.083 BindingDB Entry DOI: 10.7270/Q20002H5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50358495 (CHEMBL1923182) Show SMILES COc1cccc(c1)[C@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells				Bioorg Med Chem Lett 21: 7107-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.083 BindingDB Entry DOI: 10.7270/Q20002H5
					More data for this Ligand-Target Pair