BDBM50297794 2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide::CHEMBL561952

SMILES: COc1ccc(cn1)-c1ccc2nc(NCC(=O)N(C)C)c(=O)n(CC3CCCCC3)c2n1

InChI Key: InChIKey=ROEGNRKYBCGLFT-UHFFFAOYSA-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 = 50297794   

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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50297794 (2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-...) Show SMILES COc1ccc(cn1)-c1ccc2nc(NCC(=O)N(C)C)c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C24H30N6O3/c1-29(2)21(31)14-26-22-24(32)30(15-16-7-5-4-6-8-16)23-19(27-22)11-10-18(28-23)17-9-12-20(33-3)25-13-17/h9-13,16H,4-8,14-15H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PDE5 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9523-y BindingDB Entry DOI: 10.7270/Q2JW8HS3
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50297794 (2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-...) Show SMILES COc1ccc(cn1)-c1ccc2nc(NCC(=O)N(C)C)c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C24H30N6O3/c1-29(2)21(31)14-26-22-24(32)30(15-16-7-5-4-6-8-16)23-19(27-22)11-10-18(28-23)17-9-12-20(33-3)25-13-17/h9-13,16H,4-8,14-15H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 19: 4088-91 (2009) Article DOI: 10.1016/j.bmcl.2009.06.012 BindingDB Entry DOI: 10.7270/Q23R0SXR
					More data for this Ligand-Target Pair