BDBM250085 US10005782, Compound 30a::US9447106, 30a (peak 1)

SMILES: NC(=O)c1c2NC[C@@H]3CN(CC[C@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C

InChI Key: InChIKey=STKAJAXFRAFMLO-YLJYHZDGSA-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 = 250085   

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))	BDBM250085 (US10005782, Compound 30a | US9447106, 30a (peak 1)) Show SMILES NC(=O)c1c2NC[C@@H]3CN(CC[C@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r| Show InChI InChI=1S/C25H25N5O3/c1-2-21(31)29-13-12-20-17(15-29)14-27-25-22(24(26)32)23(28-30(20)25)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17,20,27H,1,12-15H2,(H2,26,32)/t17-,20-/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	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				Bioorg Med Chem 17: 7755-68 (2009) BindingDB Entry DOI: 10.7270/Q29889BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250085 (US10005782, Compound 30a | US9447106, 30a (peak 1)) Show SMILES NC(=O)c1c2NC[C@@H]3CN(CC[C@H]3n2nc1-c1ccc(Oc2ccccc2)cc1)C(=O)C=C |r| Show InChI InChI=1S/C25H25N5O3/c1-2-21(31)29-13-12-20-17(15-29)14-27-25-22(24(26)32)23(28-30(20)25)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17,20,27H,1,12-15H2,(H2,26,32)/t17-,20-/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	0.660	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9447106 (2016) BindingDB Entry DOI: 10.7270/Q21Z439C
					More data for this Ligand-Target Pair