BDBM287168 US9567339, Example A.1.19

SMILES: COC(=O)c1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C

InChI Key: InChIKey=SDPKIOCIYUKCGI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 287168   

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))	BDBM287168 (US9567339, Example A.1.19) Show SMILES COC(=O)c1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C27H23N3O4/c1-4-24(31)29-22-10-6-9-18(15(22)2)19-11-12-20(26(28)32)25-21(19)14-23(30-25)16-7-5-8-17(13-16)27(33)34-3/h4-14,30H,1H2,2-3H3,(H2,28,32)(H,29,31)	PDB 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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