BDBM50466316 CHEMBL4276669

SMILES: [H][C@@]12CN(c3ccc(C(N)=O)c(Nc4ccc(C)nc4)n3)[C@@]([H])(CN1C(=O)C=C)C2

InChI Key: InChIKey=QVYSFZGROFHAOB-HUUCEWRRSA-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 = 50466316   

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))	BDBM50466316 (CHEMBL4276669) Show SMILES [H][C@@]12CN(c3ccc(C(N)=O)c(Nc4ccc(C)nc4)n3)[C@@]([H])(CN1C(=O)C=C)C2 |r| Show InChI InChI=1S/C20H22N6O2/c1-3-18(27)26-11-14-8-15(26)10-25(14)17-7-6-16(19(21)28)20(24-17)23-13-5-4-12(2)22-9-13/h3-7,9,14-15H,1,8,10-11H2,2H3,(H2,21,28)(H,23,24)/t14-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research & Development Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human PBMC assessed as suppression of BCR-induced CD69 expression on B cells pretreated f...				Bioorg Med Chem Lett 28: 3419-3424 (2018) Article DOI: 10.1016/j.bmcl.2018.09.033 BindingDB Entry DOI: 10.7270/Q218395S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50466316 (CHEMBL4276669) Show SMILES [H][C@@]12CN(c3ccc(C(N)=O)c(Nc4ccc(C)nc4)n3)[C@@]([H])(CN1C(=O)C=C)C2 |r| Show InChI InChI=1S/C20H22N6O2/c1-3-18(27)26-11-14-8-15(26)10-25(14)17-7-6-16(19(21)28)20(24-17)23-13-5-4-12(2)22-9-13/h3-7,9,14-15H,1,8,10-11H2,2H3,(H2,21,28)(H,23,24)/t14-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research & Development Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged BTK (2 to 659 residues) expressed in baculovirus expression system using FITC-AHA-E...				Bioorg Med Chem Lett 28: 3419-3424 (2018) Article DOI: 10.1016/j.bmcl.2018.09.033 BindingDB Entry DOI: 10.7270/Q218395S
					More data for this Ligand-Target Pair