BDBM50523946 ONO-1078

SMILES: O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1

InChI Key: InChIKey=GEOTZKLBJDSZEX-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 Kd

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 3 hits for monomerid = 50523946   

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
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523946 (ONO-1078) Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 |c:5,11,t:3| Show InChI InChI=1S/C27H25N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17,21,25H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Competitive-inhibition of MERS-CoV papain-like protease using varying levels of Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate by Dixon-plot analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523946 (ONO-1078) Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 |c:5,11,t:3| Show InChI InChI=1S/C27H25N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17,21,25H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523946 (ONO-1078) Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 |c:5,11,t:3| Show InChI InChI=1S/C27H25N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17,21,25H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050
					More data for this Ligand-Target Pair