BDBM50233653 CHEMBL4095573

SMILES: CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1

InChI Key: InChIKey=KWUFJAABZPUKTF-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 = 50233653   

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))	BDBM50233653 (CHEMBL4095573) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C34H32FN5O3/c1-38(2)34(43)39-13-9-21(10-14-39)29-18-26-25(8-12-36-32(26)37-29)24-4-3-5-30(27(24)19-41)40-15-11-22-16-23(20-6-7-20)17-28(35)31(22)33(40)42/h3-5,8-9,11-12,15-18,20,41H,6-7,10,13-14,19H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233653 (CHEMBL4095573) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C34H32FN5O3/c1-38(2)34(43)39-13-9-21(10-14-39)29-18-26-25(8-12-36-32(26)37-29)24-4-3-5-30(27(24)19-41)40-15-11-22-16-23(20-6-7-20)17-28(35)31(22)33(40)42/h3-5,8-9,11-12,15-18,20,41H,6-7,10,13-14,19H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair