BDBM279457 (R)-1-(5-(7H-pyrrolo[2, 3-d]pyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-3-methylbutan-1-amine::US10035777, Example 8

SMILES: CC(C)C[C@@H](N)c1nc2cc(ccc2[nH]1)-c1ncnc2[nH]ccc12

InChI Key: InChIKey=VZHOFNCZZAQEPS-KWWJGWKXSA-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 = 279457   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM279457 ((R)-1-(5-(7H-pyrrolo[2, 3-d]pyrimidin-4-yl)-1H-ben...) Show SMILES CC(C)C[C@@H](N)c1nc2cc(ccc2[nH]1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C18H18N6/c1-10(2)7-13(19)18-23-14-4-3-11(8-15(14)24-18)16-12-5-6-20-17(12)22-9-21-16/h3-6,8-10,13H,7,19H2,1-2H3/b16-11+/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...				J Med Chem 62: 5810-5831 (2019) Article DOI: 10.1021/acs.jmedchem.9b00136
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM279457 ((R)-1-(5-(7H-pyrrolo[2, 3-d]pyrimidin-4-yl)-1H-ben...) Show SMILES CC(C)C[C@@H](N)c1nc2cc(ccc2[nH]1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C18H18N6/c1-10(2)7-13(19)18-23-14-4-3-11(8-15(14)24-18)16-12-5-6-20-17(12)22-9-21-16/h3-6,8-10,13H,7,19H2,1-2H3/b16-11+/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10035777 (2018) BindingDB Entry DOI: 10.7270/Q28C9Z8G
					More data for this Ligand-Target Pair