BDBM394652 (−)-4-(1-{[5-(3-cyanobenzoyl)pyrimidin-2-yl]amino}ethyl)benzamide::US10308615, Example 9

SMILES: C[C@@H](Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccc(cc1)C(N)=O

InChI Key: InChIKey=PZMCWUVNRFWFRE-CYBMUJFWSA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 394652   

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
Pantetheinase (Homo sapiens (Human))	BDBM394652 ((−)-4-(1-{[5-(3-cyanobenzoyl)pyrimidin-2-yl]...) Show SMILES C[C@@H](Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C21H17N5O2/c1-13(15-5-7-16(8-6-15)20(23)28)26-21-24-11-18(12-25-21)19(27)17-4-2-3-14(9-17)10-22/h2-9,11-13H,1H3,(H2,23,28)(H,24,25,26)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41.3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394652 ((−)-4-(1-{[5-(3-cyanobenzoyl)pyrimidin-2-yl]...) Show SMILES C[C@@H](Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C21H17N5O2/c1-13(15-5-7-16(8-6-15)20(23)28)26-21-24-11-18(12-25-21)19(27)17-4-2-3-14(9-17)10-22/h2-9,11-13H,1H3,(H2,23,28)(H,24,25,26)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair