BDBM287845 6-(6,7,8,9-tetrahydro-5H- benzo[7]annulen-7- ylcarbonyl)-6,11-dihydro- 5H-pyrido[2,3- b][1,5]benzodiazepine::US10086000, Example 62::US10508108, Example 62

SMILES: O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccccc12

InChI Key: InChIKey=VLFIKYSHKDFKHR-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 = 287845   

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 [1-141,R132H] (Homo sapiens (Human))	BDBM287845 (6-(6,7,8,9-tetrahydro-5H- benzo[7]annulen-7- ylcar...) Show SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccccc12 Show InChI InChI=1S/C24H23N3O/c28-24(19-13-11-17-6-1-2-7-18(17)12-14-19)27-16-20-8-5-15-25-23(20)26-21-9-3-4-10-22(21)27/h1-10,15,19H,11-14,16H2,(H,25,26)	PDB 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 [1-141,R132H] (Homo sapiens (Human))	BDBM287845 (6-(6,7,8,9-tetrahydro-5H- benzo[7]annulen-7- ylcar...) Show SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccccc12 Show InChI InChI=1S/C24H23N3O/c28-24(19-13-11-17-6-1-2-7-18(17)12-14-19)27-16-20-8-5-15-25-23(20)26-21-9-3-4-10-22(21)27/h1-10,15,19H,11-14,16H2,(H,25,26)	PDB 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