BDBM50163685 CHEMBL3793581

SMILES: [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc2CCCCc12

InChI Key: InChIKey=PADYIFNIUGOXQB-APCRHQIWSA-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 = 50163685   

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
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50163685 (CHEMBL3793581) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc2CCCCc12 |r| Show InChI InChI=1S/C32H49BN2O4/c1-19(2)15-25(34-29(36)24-14-10-12-21-11-8-9-13-23(21)24)30(37)35-28(16-20(3)4)33-38-27-18-22-17-26(31(22,5)6)32(27,7)39-33/h10,12,14,19-20,22,25-28H,8-9,11,13,15-18H2,1-7H3,(H,34,36)(H,35,37)/t22-,25-,26-,27?,28-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.69E+8	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Forestry University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...				Bioorg Med Chem 24: 2576-88 (2016) BindingDB Entry DOI: 10.7270/Q2P84DSC
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50163685 (CHEMBL3793581) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc2CCCCc12 |r| Show InChI InChI=1S/C32H49BN2O4/c1-19(2)15-25(34-29(36)24-14-10-12-21-11-8-9-13-23(21)24)30(37)35-28(16-20(3)4)33-38-27-18-22-17-26(31(22,5)6)32(27,7)39-33/h10,12,14,19-20,22,25-28H,8-9,11,13,15-18H2,1-7H3,(H,34,36)(H,35,37)/t22-,25-,26-,27?,28-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Forestry University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by subs...				Bioorg Med Chem 24: 2576-88 (2016) BindingDB Entry DOI: 10.7270/Q2P84DSC
					More data for this Ligand-Target Pair