BDBM287187 US9567339, Example A.1.38

SMILES: Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCC1

InChI Key: InChIKey=BVKVWJBHAWKCRS-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 287187   

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 [393-659] (Homo sapiens (Human))	BDBM287187 (US9567339, Example A.1.38) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C30H28N4O3/c1-3-27(35)32-25-8-6-7-21(18(25)2)22-13-14-23(29(31)36)28-24(22)17-26(33-28)19-9-11-20(12-10-19)30(37)34-15-4-5-16-34/h3,6-14,17,33H,1,4-5,15-16H2,2H3,(H2,31,36)(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
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