BDBM468307 2-[3-(2-amino-6-{4- [(dimethyl- amino)methyl]phenyl}- 7H-pyrrolo[2,3- d]pyrimidin-4-yl)-2- (hydroxy- methyl)phenyl]-6- cyclopropyl- 8-fluoroisoquinolin- 1(2H)-one::US10793575, Example 51

SMILES: CN(C)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1

InChI Key: InChIKey=NNQWNSRUFOBGIL-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 = 468307   

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 (C481S) (Homo sapiens (Human))	BDBM468307 (2-[3-(2-amino-6-{4- [(dimethyl- amino)methyl]pheny...) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H31FN6O2/c1-40(2)17-19-6-8-21(9-7-19)28-16-25-31(38-34(36)39-32(25)37-28)24-4-3-5-29(26(24)18-42)41-13-12-22-14-23(20-10-11-20)15-27(35)30(22)33(41)43/h3-9,12-16,20,42H,10-11,17-18H2,1-2H3,(H3,36,37,38,39)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468307 (2-[3-(2-amino-6-{4- [(dimethyl- amino)methyl]pheny...) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H31FN6O2/c1-40(2)17-19-6-8-21(9-7-19)28-16-25-31(38-34(36)39-32(25)37-28)24-4-3-5-29(26(24)18-42)41-13-12-22-14-23(20-10-11-20)15-27(35)30(22)33(41)43/h3-9,12-16,20,42H,10-11,17-18H2,1-2H3,(H3,36,37,38,39)	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	0.430	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020)
					More data for this Ligand-Target Pair