BDBM287885 8-(2,4-dimethyl-1,3-thiazol- 5-yl)-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 102::US10508108, Example 102

SMILES: Cc1nc(C)c(s1)-c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1

InChI Key: InChIKey=ZONAVWZYMMHOQD-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 = 287885   

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))	BDBM287885 (8-(2,4-dimethyl-1,3-thiazol- 5-yl)-6-(6,7,8,9-tetr...) Show SMILES Cc1nc(C)c(s1)-c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 Show InChI InChI=1S/C29H28N4OS/c1-18-27(35-19(2)31-18)23-13-14-25-26(16-23)33(17-24-8-5-15-30-28(24)32-25)29(34)22-11-9-20-6-3-4-7-21(20)10-12-22/h3-8,13-16,22H,9-12,17H2,1-2H3,(H,30,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM287885 (8-(2,4-dimethyl-1,3-thiazol- 5-yl)-6-(6,7,8,9-tetr...) Show SMILES Cc1nc(C)c(s1)-c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1 Show InChI InChI=1S/C29H28N4OS/c1-18-27(35-19(2)31-18)23-13-14-25-26(16-23)33(17-24-8-5-15-30-28(24)32-25)29(34)22-11-9-20-6-3-4-7-21(20)10-12-22/h3-8,13-16,22H,9-12,17H2,1-2H3,(H,30,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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