BDBM50382686 CHEMBL2023154::US9409868, 18

SMILES: O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1

InChI Key: InChIKey=XEZOXLSEWZHMQY-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50382686   

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 (ROCK1) (Homo sapiens (Human))	BDBM50382686 (CHEMBL2023154 | US9409868, 18) Show SMILES O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)	PDB GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	650	n/a	n/a	n/a	n/a	7.5	25
H. Lee Moffin Cancer Center and Research Institute, Inc. US Patent					Assay Description A robust FRET-based, enzyme-coupled assay format, Z-Lyte® Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this stu...				US Patent US9409868 (2016) BindingDB Entry DOI: 10.7270/Q2X63KT0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382686 (CHEMBL2023154 | US9409868, 18) Show SMILES O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50382686 (CHEMBL2023154 | US9409868, 18) Show SMILES O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay				J Med Chem 55: 2474-8 (2012) Article DOI: 10.1021/jm201289r BindingDB Entry DOI: 10.7270/Q2MG7QH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (ROCK2) (Homo sapiens (Human))	BDBM50382686 (CHEMBL2023154 | US9409868, 18) Show SMILES O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H16N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-6-7-15-13(10-14)11-18-20-15/h1-7,10-11H,8-9H2,(H,18,20)(H2,17,19,21)	PDB GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	670	n/a	n/a	n/a	n/a	7.5	25
H. Lee Moffin Cancer Center and Research Institute, Inc. US Patent					Assay Description A robust FRET-based, enzyme-coupled assay format, Z-Lyte® Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this stu...				US Patent US9409868 (2016) BindingDB Entry DOI: 10.7270/Q2X63KT0
					More data for this Ligand-Target Pair