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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=MUKLLWUYFLJAOJ-SAIGFBBZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267492   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267492 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:34.39,(-3.42,-.98,;-3.42,-2.52,;-4.75,-3.29,;-4.75,-4.83,;-3.42,-5.6,;-2.08,-4.83,;-.62,-5.31,;.29,-4.06,;-.62,-2.82,;-.22,-1.33,;1.27,-.93,;1.67,.56,;.58,1.64,;-.91,1.25,;-1.31,-.24,;.98,3.13,;-.11,4.22,;2.46,3.53,;2.86,5.02,;1.77,6.11,;2.17,7.59,;3.66,7.99,;4.75,6.9,;4.35,5.42,;1.08,8.68,;1.48,10.17,;.39,11.26,;-1.09,10.86,;-1.49,9.37,;-.4,8.29,;-2.08,-3.29,;-.22,-6.8,;1.27,-7.2,;1.67,-8.68,;.58,-9.77,;.98,-11.26,;-.91,-9.37,;-1.31,-7.89,)| Show InChI InChI=1S/C30H28N6O2/c31-28-27-26(35-29(36(27)17-16-33-28)21-10-12-24(37)13-11-21)20-6-8-22(9-7-20)30(38)34-25-18-23(14-15-32-25)19-4-2-1-3-5-19/h1-9,14-18,21,24,37H,10-13H2,(H2,31,33)(H,32,34,38)/t21-,24-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair