null

SMILES: CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1c(F)cc(O)cc1F

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50582193   

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))	BDBM50582193 (CHEMBL5086988) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1c(F)cc(O)cc1F |(36.94,-34.48,;36.47,-35.95,;34.96,-36.27,;33.93,-35.13,;34.49,-37.73,;35.4,-38.99,;34.6,-40.02,;33.01,-39.76,;31.68,-40.53,;30.34,-39.76,;30.35,-38.22,;29.01,-37.45,;31.68,-37.45,;31.67,-35.91,;30.34,-35.14,;28.94,-35.78,;27.9,-34.63,;28.66,-33.3,;29.06,-31.8,;27.57,-31.41,;27.17,-32.9,;30.17,-33.61,;33.01,-38.21,;36.93,-38.98,;37.7,-40.32,;36.93,-41.65,;39.24,-40.32,;40.01,-38.99,;41.55,-38.98,;39.23,-37.65,;37.69,-37.66,;37.39,-36.28,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582193 (CHEMBL5086988) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1c(F)cc(O)cc1F |(36.94,-34.48,;36.47,-35.95,;34.96,-36.27,;33.93,-35.13,;34.49,-37.73,;35.4,-38.99,;34.6,-40.02,;33.01,-39.76,;31.68,-40.53,;30.34,-39.76,;30.35,-38.22,;29.01,-37.45,;31.68,-37.45,;31.67,-35.91,;30.34,-35.14,;28.94,-35.78,;27.9,-34.63,;28.66,-33.3,;29.06,-31.8,;27.57,-31.41,;27.17,-32.9,;30.17,-33.61,;33.01,-38.21,;36.93,-38.98,;37.7,-40.32,;36.93,-41.65,;39.24,-40.32,;40.01,-38.99,;41.55,-38.98,;39.23,-37.65,;37.69,-37.66,;37.39,-36.28,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair