BDBM50543379 CHEMBL4638609

SMILES: Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCc3c(cc4CCCCn34)C2=O)c1CO

InChI Key: InChIKey=RHGUHTVUFIWOAO-UHFFFAOYSA-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 = 50543379   

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))	BDBM50543379 (CHEMBL4638609) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCc3c(cc4CCCCn34)C2=O)c1CO Show InChI InChI=1S/C27H29N5O4/c1-30-14-17(12-22(27(30)36)29-25(34)16-5-6-16)19-7-9-28-24(21(19)15-33)32-11-8-23-20(26(32)35)13-18-4-2-3-10-31(18)23/h7,9,12-14,16,33H,2-6,8,10-11,15H2,1H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression preincubated for 1 hr followed by goat F(ab')2 an...				ACS Med Chem Lett 11: 1588-1597 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543379 (CHEMBL4638609) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCc3c(cc4CCCCn34)C2=O)c1CO Show InChI InChI=1S/C27H29N5O4/c1-30-14-17(12-22(27(30)36)29-25(34)16-5-6-16)19-7-9-28-24(21(19)15-33)32-11-8-23-20(26(32)35)13-18-4-2-3-10-31(18)23/h7,9,12-14,16,33H,2-6,8,10-11,15H2,1H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020)
					More data for this Ligand-Target Pair