null

SMILES: NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1O

InChI Key: InChIKey=DAFDTRSWRWXFIR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 210959   

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
Endoplasmin (Homo sapiens (Human))	BDBM210959 (4-(2-(2-hydroxybenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1O |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)| Show InChI InChI=1S/C24H27N3O3/c25-24(30)21-12-9-19(15-22(21)26-17-7-10-20(28)11-8-17)27-13-3-5-18(27)14-16-4-1-2-6-23(16)29/h1-6,9,12-13,15,17,20,26,28-29H,7-8,10-11,14H2,(H2,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	440	n/a	n/a	n/a	7.3	n/a
The University of Kansas					Assay Description Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...				ACS Chem Biol 12: 244-253 (2017) Article DOI: 10.1021/acschembio.6b00747 BindingDB Entry DOI: 10.7270/Q20000XQ
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM210959 (4-(2-(2-hydroxybenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1O |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)| Show InChI InChI=1S/C24H27N3O3/c25-24(30)21-12-9-19(15-22(21)26-17-7-10-20(28)11-8-17)27-13-3-5-18(27)14-16-4-1-2-6-23(16)29/h1-6,9,12-13,15,17,20,26,28-29H,7-8,10-11,14H2,(H2,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Kansas; University of South Florida US Patent					Assay Description Assay buffer (25 μL, 20 mM HEPES pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg/mL BGG) was added to 96-well pl...				US Patent US10975030 (2021)
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM210959 (4-(2-(2-hydroxybenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1O |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)| Show InChI InChI=1S/C24H27N3O3/c25-24(30)21-12-9-19(15-22(21)26-17-7-10-20(28)11-8-17)27-13-3-5-18(27)14-16-4-1-2-6-23(16)29/h1-6,9,12-13,15,17,20,26,28-29H,7-8,10-11,14H2,(H2,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.3	n/a
The University of Kansas					Assay Description Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...				ACS Chem Biol 12: 244-253 (2017) Article DOI: 10.1021/acschembio.6b00747 BindingDB Entry DOI: 10.7270/Q20000XQ
					More data for this Ligand-Target Pair