BDBM50516583 CHEMBL4568235

SMILES: [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1

InChI Key: InChIKey=KBTYQWIXHSZION-GSBZAIBZSA-N

Data: 1 KI  1 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 = 50516583   

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
Menin (Homo sapiens (Human))	BDBM50516583 (CHEMBL4568235) Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N5O2/c1-38-30(37)34-29-9-5-8-28(29)31(22-33,25-6-3-2-4-7-25)26-14-16-35(17-15-26)19-24-20-36(21-24)27-12-10-23(18-32)11-13-27/h2-4,6-7,10-13,24,26,28-29H,5,8-9,14-17,19-21H2,1H3,(H,34,37)/t28-,29-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516583 (CHEMBL4568235) Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N5O2/c1-38-30(37)34-29-9-5-8-28(29)31(22-33,25-6-3-2-4-7-25)26-14-16-35(17-15-26)19-24-20-36(21-24)27-12-10-23(18-32)11-13-27/h2-4,6-7,10-13,24,26,28-29H,5,8-9,14-17,19-21H2,1H3,(H,34,37)/t28-,29-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021
					More data for this Ligand-Target Pair