BDBM50417844 CHEMBL1667963

SMILES: Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1

InChI Key: InChIKey=QITCSTCJTLZZMU-UHFFFAOYSA-N

Data: 1 KI  8 IC50

PDB links: 3 PDB IDs match 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 9 hits for monomerid = 50417844   

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))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	34.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Binding affinity to ROCK1				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PRKX (Homo sapiens (Human))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human PrkX by RFBA assay				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair
Protein kinase C, epsilon (Homo sapiens (Human))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human PKCeta by RFBA assay				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of ROCK1 in human THP cells assessed as inhibition of MCP1-induced cell migration				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human PKCmu by RFBA assay				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human PKCdelta by RFBA assay				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	759	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of ROCK1 by IMAP assay				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of ROCK1 by RFBA assay				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50417844 (CHEMBL1667963) Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of ROCK2 by IMAP assay				Bioorg Med Chem Lett 21: 1084-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.104 BindingDB Entry DOI: 10.7270/Q2DN468G
					More data for this Ligand-Target Pair