BDBM263561 2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phenoxy)- phenyl]-1h-pyrazole-4- carbonyl}-1h-indole-5- carboxylic acid (2- dimethylamino-ethyl)-amide::US9556150, i-49

SMILES: CN(C)CCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl

InChI Key: InChIKey=ISPUCYKAHULRLP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 263561   

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))	BDBM263561 (2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phe...) Show SMILES CN(C)CCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl Show InChI InChI=1S/C32H32ClN7O4/c1-38(2)14-13-35-31(42)19-9-11-25-20(15-19)16-26(37-25)29(41)23-18-36-40(30(23)34)27-12-10-21(17-24(27)33)44-28-8-6-5-7-22(28)32(43)39(3)4/h5-12,15-18,37H,13-14,34H2,1-4H3,(H,35,42)	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	1.40	n/a	n/a	n/a	n/a	7.15	n/a
Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...				US Patent US9556150 (2017) BindingDB Entry DOI: 10.7270/Q2571F1S
					More data for this Ligand-Target Pair