BDBM50366736 CHEMBL1793972

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O

InChI Key: InChIKey=QIRFIQOIPIMCJZ-SHUILBLCSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50366736   

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
Histone deacetylase (Cryptosporidium parvum)	BDBM50366736 (CHEMBL1793972) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa				Bioorg Med Chem Lett 11: 113-7 (2001) BindingDB Entry DOI: 10.7270/Q2M045ZB
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50366736 (CHEMBL1793972) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...				Bioorg Med Chem Lett 11: 113-7 (2001) BindingDB Entry DOI: 10.7270/Q2M045ZB
					More data for this Ligand-Target Pair
Histone deacetylase (Cryptosporidium parvum)	BDBM50366736 (CHEMBL1793972) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for Histone deacetylase enzyme inhibition assay using Eimeria tenella extract				J Med Chem 43: 4919-22 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G88
					More data for this Ligand-Target Pair
Histone deacetylase (Cryptosporidium parvum)	BDBM50366736 (CHEMBL1793972) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...				Bioorg Med Chem Lett 11: 113-7 (2001) BindingDB Entry DOI: 10.7270/Q2M045ZB
					More data for this Ligand-Target Pair