BDBM412530 (3,9-difluoro-8-(6-oxa-2- azaspiro[3.5]nonan-2-yl)-5,11- dihydro-6H-benzo[b]pyrido[2,3- e][1,4]diazepin-6-yl)(1-(2,2,2- trifluoroethyl)piperidin-4- yl)methanone::US10399972, Example 21

SMILES: Fc1cnc2Nc3cc(F)c(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1CC2(C1)CCCOC2

InChI Key: InChIKey=SPYRIRSSUCUKAW-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 = 412530   

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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM412530 ((3,9-difluoro-8-(6-oxa-2- azaspiro[3.5]nonan-2-yl)...) Show SMILES Fc1cnc2Nc3cc(F)c(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1CC2(C1)CCCOC2 Show InChI InChI=1S/C27H30F5N5O2/c28-19-8-18-12-37(25(38)17-2-5-35(6-3-17)15-27(30,31)32)23-10-22(20(29)9-21(23)34-24(18)33-11-19)36-13-26(14-36)4-1-7-39-16-26/h8-11,17H,1-7,12-16H2,(H,33,34)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of IDH1 RI32C mutant (unknown origin) by kinase-Glo luminescent assay				J Med Chem 61: 8981-9003 (2018) Article DOI: 10.1021/acs.jmedchem.8b00159
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM412530 ((3,9-difluoro-8-(6-oxa-2- azaspiro[3.5]nonan-2-yl)...) Show SMILES Fc1cnc2Nc3cc(F)c(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1CC2(C1)CCCOC2 Show InChI InChI=1S/C27H30F5N5O2/c28-19-8-18-12-37(25(38)17-2-5-35(6-3-17)15-27(30,31)32)23-10-22(20(29)9-21(23)34-24(18)33-11-19)36-13-26(14-36)4-1-7-39-16-26/h8-11,17H,1-7,12-16H2,(H,33,34)	PDB GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10399972 (2019) BindingDB Entry DOI: 10.7270/Q2TH8Q2V
					More data for this Ligand-Target Pair