BDBM50462712 CHEMBL4249314

SMILES: O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1

InChI Key: InChIKey=BDHSWFJGPZRHLH-UHFFFAOYSA-N

Data: 2 KI

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 = 50462712   

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))	BDBM50462712 (CHEMBL4249314) Show SMILES O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C24H28N4O2S/c29-23(27-24-26-22(18-31-24)20-8-10-25-11-9-20)17-19-6-4-7-21(16-19)30-15-5-14-28-12-2-1-3-13-28/h4,6-11,16,18H,1-3,5,12-15,17H2,(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen...				Bioorg Med Chem Lett 28: 2616-2621 (2018) Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50462712 (CHEMBL4249314) Show SMILES O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1 Show InChI InChI=1S/C24H28N4O2S/c29-23(27-24-26-22(18-31-24)20-8-10-25-11-9-20)17-19-6-4-7-21(16-19)30-15-5-14-28-12-2-1-3-13-28/h4,6-11,16,18H,1-3,5,12-15,17H2,(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c...				Bioorg Med Chem Lett 28: 2616-2621 (2018) Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH
					More data for this Ligand-Target Pair