BDBM50004423 CHEMBL3238168

SMILES: Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1

InChI Key: InChIKey=FWLLRTWYRORQAU-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50004423   

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))	BDBM50004423 (CHEMBL3238168) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1 Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Laboratories Inc Curated by ChEMBL					Assay Description Inhibition of truncated ROCK-1 (unknown origin)				Bioorg Med Chem Lett 24: 1875-9 (2014) Article DOI: 10.1016/j.bmcl.2014.03.017 BindingDB Entry DOI: 10.7270/Q21Z45X8
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50004423 (CHEMBL3238168) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1 Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)	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	n/a	n/a	380	n/a	n/a	n/a	n/a
Alcon Laboratories Inc Curated by ChEMBL					Assay Description Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay				Bioorg Med Chem Lett 24: 1875-9 (2014) Article DOI: 10.1016/j.bmcl.2014.03.017 BindingDB Entry DOI: 10.7270/Q21Z45X8
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50004423 (CHEMBL3238168) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1 Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Laboratories Inc Curated by ChEMBL					Assay Description Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay				Bioorg Med Chem Lett 24: 1875-9 (2014) Article DOI: 10.1016/j.bmcl.2014.03.017 BindingDB Entry DOI: 10.7270/Q21Z45X8
					More data for this Ligand-Target Pair