BDBM50254279 CHEMBL4060453

SMILES: Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO

InChI Key: InChIKey=FGAHWCREJZNLBB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50254279   

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 (Mus musculus)	BDBM50254279 (CHEMBL4060453) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C36H41N7O4/c1-39-20-25(17-30(35(39)45)38-34-10-9-26(19-37-34)40-11-13-41(14-12-40)27-22-47-23-27)28-6-4-8-32(29(28)21-44)43-16-15-42-31-7-3-2-5-24(31)18-33(42)36(43)46/h4,6,8-10,17-20,27,44H,2-3,5,7,11-16,21-23H2,1H3,(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50254279 (CHEMBL4060453) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C36H41N7O4/c1-39-20-25(17-30(35(39)45)38-34-10-9-26(19-37-34)40-11-13-41(14-12-40)27-22-47-23-27)28-6-4-8-32(29(28)21-44)43-16-15-42-31-7-3-2-5-24(31)18-33(42)36(43)46/h4,6,8-10,17-20,27,44H,2-3,5,7,11-16,21-23H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50254279 (CHEMBL4060453) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C36H41N7O4/c1-39-20-25(17-30(35(39)45)38-34-10-9-26(19-37-34)40-11-13-41(14-12-40)27-22-47-23-27)28-6-4-8-32(29(28)21-44)43-16-15-42-31-7-3-2-5-24(31)18-33(42)36(43)46/h4,6,8-10,17-20,27,44H,2-3,5,7,11-16,21-23H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair