BDBM303616 US10138229, Example 128::US10875852, Example 128

SMILES: CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1

InChI Key: InChIKey=IJBPOLMJSQOFPV-WEHONNDLSA-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 = 303616   

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))	BDBM303616 (US10138229, Example 128 | US10875852, Example 128) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1 |r,wU:10.12,8.7,wD:8.33,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-2.55,5.36,;-2.95,3.88,;-.67,7.25,;.82,7.65,;-1.76,8.34,;-.27,8.74,;1.06,-4.89,)| Show InChI InChI=1S/C22H22F3N5O2/c1-2-3-16(31)29-9-8-21(12-29)10-15(11-21)30-19(26)17(20(27)32)18(28-30)13-4-6-14(7-5-13)22(23,24)25/h4-7,15H,8-12,26H2,1H3,(H2,27,32)/t15-,21-	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303616 (US10138229, Example 128 | US10875852, Example 128) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1 |r,wU:10.12,8.7,wD:8.33,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-2.55,5.36,;-2.95,3.88,;-.67,7.25,;.82,7.65,;-1.76,8.34,;-.27,8.74,;1.06,-4.89,)| Show InChI InChI=1S/C22H22F3N5O2/c1-2-3-16(31)29-9-8-21(12-29)10-15(11-21)30-19(26)17(20(27)32)18(28-30)13-4-6-14(7-5-13)22(23,24)25/h4-7,15H,8-12,26H2,1H3,(H2,27,32)/t15-,21-	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair