BDBM50220898 (R)-5-(3-amino-2-fluoropropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one::CHEMBL398612

SMILES: Cc1[nH]nc2c1c(=O)n(C[C@H](F)CN)c1cc(C3CCCCC3)c(cc21)C1CCCCC1

InChI Key: InChIKey=IHIQFZIHZGMOLT-LJQANCHMSA-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 = 50220898   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50220898 ((R)-5-(3-amino-2-fluoropropyl)-7,8-dicyclohexyl-3-...) Show SMILES Cc1[nH]nc2c1c(=O)n(C[C@H](F)CN)c1cc(C3CCCCC3)c(cc21)C1CCCCC1 Show InChI InChI=1S/C26H35FN4O/c1-16-24-25(30-29-16)22-12-20(17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)13-23(22)31(26(24)32)15-19(27)14-28/h12-13,17-19H,2-11,14-15,28H2,1H3,(H,29,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at hERG expressed in human embryonic kidney cells				Bioorg Med Chem Lett 17: 5989-94 (2007) Article DOI: 10.1016/j.bmcl.2007.07.051 BindingDB Entry DOI: 10.7270/Q2K93775
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50220898 ((R)-5-(3-amino-2-fluoropropyl)-7,8-dicyclohexyl-3-...) Show SMILES Cc1[nH]nc2c1c(=O)n(C[C@H](F)CN)c1cc(C3CCCCC3)c(cc21)C1CCCCC1 Show InChI InChI=1S/C26H35FN4O/c1-16-24-25(30-29-16)22-12-20(17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)13-23(22)31(26(24)32)15-19(27)14-28/h12-13,17-19H,2-11,14-15,28H2,1H3,(H,29,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1 by fluorescence assay				Bioorg Med Chem Lett 17: 5989-94 (2007) Article DOI: 10.1016/j.bmcl.2007.07.051 BindingDB Entry DOI: 10.7270/Q2K93775
					More data for this Ligand-Target Pair