BDBM259438 US10457647, Example 37::US9512084, 37

SMILES: Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=YLXWLGWXHPGIMD-GOSISDBHSA-N

Data: 2 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 2 hits for monomerid = 259438   

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))	BDBM259438 (US10457647, Example 37 | US9512084, 37) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C30H31F2N5O3/c1-3-26(38)37-10-4-5-18(14-37)15-40-28-27(34-16-35-29(28)33)23-12-21(31)13-25(17(23)2)36-30(39)22-9-8-20(11-24(22)32)19-6-7-19/h3,8-9,11-13,16,18-19H,1,4-7,10,14-15H2,2H3,(H,36,39)(H2,33,34,35)/t18-/m1/s1	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US10457647 (2019) BindingDB Entry DOI: 10.7270/Q2KH0QPQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259438 (US10457647, Example 37 | US9512084, 37) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C30H31F2N5O3/c1-3-26(38)37-10-4-5-18(14-37)15-40-28-27(34-16-35-29(28)33)23-12-21(31)13-25(17(23)2)36-30(39)22-9-8-20(11-24(22)32)19-6-7-19/h3,8-9,11-13,16,18-19H,1,4-7,10,14-15H2,2H3,(H,36,39)(H2,33,34,35)/t18-/m1/s1	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	32	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair