Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50001631   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal calcium sensor 1 (Homo sapiens)	BDBM50288830 (CHEMBL4177272) Show SMILES COc1ccccc1C(=O)Nc1nc2cc(ccc2s1)C(F)(F)F Show InChI InChI=1S/C16H11F3N2O2S/c1-23-12-5-3-2-4-10(12)14(22)21-15-20-11-8-9(16(17,18)19)6-7-13(11)24-15/h2-8H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a
Biological Research Center Curated by ChEMBL					Assay Description Binding affinity to human NCS1 expressed in Escherichia coli BL21 Star (DE3) by fluorescence emission assay				J Med Chem 61: 5910-5921 (2018) Article DOI: 10.1021/acs.jmedchem.8b00088 BindingDB Entry DOI: 10.7270/Q2WS8WSQ
					More data for this Ligand-Target Pair
Frequenin 2, isoform D (Drosophila melanogaster)	BDBM50361459 (CHEMBL1938454) Show SMILES O=C(CN1CCCCC1)NN1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a
Biological Research Center Curated by ChEMBL					Assay Description Binding affinity to drosophila NCS1 expressed in Escherichia coli BL21 (DE3) by fluorescence emission assay				J Med Chem 61: 5910-5921 (2018) Article DOI: 10.1021/acs.jmedchem.8b00088 BindingDB Entry DOI: 10.7270/Q2WS8WSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal calcium sensor 1 (Homo sapiens)	BDBM50008396 (CHEMBL3235533) Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 Show InChI InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a
Biological Research Center Curated by ChEMBL					Assay Description Binding affinity to human NCS1 expressed in Escherichia coli BL21 Star (DE3) by fluorescence emission assay				J Med Chem 61: 5910-5921 (2018) Article DOI: 10.1021/acs.jmedchem.8b00088 BindingDB Entry DOI: 10.7270/Q2WS8WSQ
					More data for this Ligand-Target Pair
Frequenin 2, isoform D (Drosophila melanogaster)	BDBM50008396 (CHEMBL3235533) Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 Show InChI InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a
Biological Research Center Curated by ChEMBL					Assay Description Binding affinity to drosophila NCS1 expressed in Escherichia coli BL21 (DE3) by fluorescence emission assay				J Med Chem 61: 5910-5921 (2018) Article DOI: 10.1021/acs.jmedchem.8b00088 BindingDB Entry DOI: 10.7270/Q2WS8WSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)