BDBM288492 (1R,2R,5R)-5-[8- amino-1-(4-{[4- (trifluoromethyl) pyridin-2- yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin- 3-yl]-2-(1- methylethyl) cyclohexane- carboxylic acid::US10087188, Example 99

SMILES: CC(C)[C@H]1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=PAQMIHDIOFLBAZ-HMXCVIKNSA-N

Data: 3 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 3 hits for monomerid = 288492   

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))	BDBM288492 ((1R,2R,5R)-5-[8- amino-1-(4-{[4- (trifluoromethyl)...) Show SMILES CC(C)[C@H]1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F3N6O3/c1-15(2)20-8-7-18(13-21(20)28(40)41)26-37-23(24-25(33)35-11-12-38(24)26)16-3-5-17(6-4-16)27(39)36-22-14-19(9-10-34-22)29(30,31)32/h3-6,9-12,14-15,18,20-21H,7-8,13H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39)/t18-,20-,21-/m1/s1	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288492 ((1R,2R,5R)-5-[8- amino-1-(4-{[4- (trifluoromethyl)...) Show SMILES CC(C)[C@H]1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F3N6O3/c1-15(2)20-8-7-18(13-21(20)28(40)41)26-37-23(24-25(33)35-11-12-38(24)26)16-3-5-17(6-4-16)27(39)36-22-14-19(9-10-34-22)29(30,31)32/h3-6,9-12,14-15,18,20-21H,7-8,13H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39)/t18-,20-,21-/m1/s1	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co Inc Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC				Bioorg Med Chem Lett 27: 1471-1477 (2017) BindingDB Entry DOI: 10.7270/Q20867K5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288492 ((1R,2R,5R)-5-[8- amino-1-(4-{[4- (trifluoromethyl)...) Show SMILES CC(C)[C@H]1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F3N6O3/c1-15(2)20-8-7-18(13-21(20)28(40)41)26-37-23(24-25(33)35-11-12-38(24)26)16-3-5-17(6-4-16)27(39)36-22-14-19(9-10-34-22)29(30,31)32/h3-6,9-12,14-15,18,20-21H,7-8,13H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39)/t18-,20-,21-/m1/s1	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co Inc Curated by ChEMBL					Assay Description Inhibition of 6-His-tagged recombinant full length BTK (unknown origin) expressed in baculovirus-transfected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-N...				Bioorg Med Chem Lett 27: 1471-1477 (2017) BindingDB Entry DOI: 10.7270/Q20867K5
					More data for this Ligand-Target Pair