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SMILES: Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO

InChI Key: InChIKey=OTERKSQZXOAQLU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50167279   

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
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50167279 (CHEMBL3799090) Show SMILES Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO |(-2.81,-3.89,;-1.69,-4.4,;-1.54,-5.93,;-.14,-6.58,;1.11,-5.68,;.97,-4.15,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,;0,-8.11,;1.12,-8.62,;-1.26,-9,;-1.11,-10.54,;-2.37,-11.43,;-2.26,-12.65,)| Show InChI InChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis				Bioorg Med Chem Lett 26: 2779-2783 (2016) Article DOI: 10.1016/j.bmcl.2016.04.072 BindingDB Entry DOI: 10.7270/Q29P33K9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50167279 (CHEMBL3799090) Show SMILES Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO |(-2.81,-3.89,;-1.69,-4.4,;-1.54,-5.93,;-.14,-6.58,;1.11,-5.68,;.97,-4.15,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,;0,-8.11,;1.12,-8.62,;-1.26,-9,;-1.11,-10.54,;-2.37,-11.43,;-2.26,-12.65,)| Show InChI InChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha				Bioorg Med Chem Lett 26: 2779-2783 (2016) Article DOI: 10.1016/j.bmcl.2016.04.072 BindingDB Entry DOI: 10.7270/Q29P33K9
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50167279 (CHEMBL3799090) Show SMILES Cc1cc(ccc1-n1c2cn[nH]c2c2cc(F)ccc12)C(=O)NCCO |(-2.81,-3.89,;-1.69,-4.4,;-1.54,-5.93,;-.14,-6.58,;1.11,-5.68,;.97,-4.15,;-.44,-3.51,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,;0,-8.11,;1.12,-8.62,;-1.26,-9,;-1.11,-10.54,;-2.37,-11.43,;-2.26,-12.65,)| Show InChI InChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...				Bioorg Med Chem Lett 26: 2779-2783 (2016) Article DOI: 10.1016/j.bmcl.2016.04.072 BindingDB Entry DOI: 10.7270/Q29P33K9
					More data for this Ligand-Target Pair