null

SMILES: O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(nc12)N1CCOCC1

InChI Key: InChIKey=RHVZDZUDQPVWAK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 287901   

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 [R132H] (Homo sapiens (Human))	BDBM287901 (2-Morpholin-4-yl-11-(6,7,8,9-tetrahydro-5H-benzo[7...) Show SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(nc12)N1CCOCC1 Show InChI InChI=1S/C27H29N5O2/c33-27(21-9-7-19-4-1-2-5-20(19)8-10-21)32-18-22-6-3-13-28-25(22)29-23-11-12-24(30-26(23)32)31-14-16-34-17-15-31/h1-6,11-13,21H,7-10,14-18H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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 US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287901 (2-Morpholin-4-yl-11-(6,7,8,9-tetrahydro-5H-benzo[7...) Show SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(nc12)N1CCOCC1 Show InChI InChI=1S/C27H29N5O2/c33-27(21-9-7-19-4-1-2-5-20(19)8-10-21)32-18-22-6-3-13-28-25(22)29-23-11-12-24(30-26(23)32)31-14-16-34-17-15-31/h1-6,11-13,21H,7-10,14-18H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	25
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 US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair