BDBM210949 4-(2-benzyl-1H-pyrrol-1-yl)-2-(((1r,4r)-4-hydroxycyclohexyl)amino)benzamide (8a)::US10975030, Compound 8a

SMILES: NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1

InChI Key: InChIKey=MEMFTGJMPPPFAA-UHFFFAOYSA-N

Data: 3 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 = 210949   

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))	BDBM210949 (4-(2-benzyl-1H-pyrrol-1-yl)-2-(((1r,4r)-4-hydroxyc...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1 |(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,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;8.48,-6.42,;7.34,-5.39,)| Show InChI InChI=1S/C24H27N3O2/c25-24(29)22-13-10-20(16-23(22)26-18-8-11-21(28)12-9-18)27-14-4-7-19(27)15-17-5-2-1-3-6-17/h1-7,10,13-14,16,18,21,26,28H,8-9,11-12,15H2,(H2,25,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.13E+3	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))	BDBM210949 (4-(2-benzyl-1H-pyrrol-1-yl)-2-(((1r,4r)-4-hydroxyc...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1 |(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,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;8.48,-6.42,;7.34,-5.39,)| Show InChI InChI=1S/C24H27N3O2/c25-24(29)22-13-10-20(16-23(22)26-18-8-11-21(28)12-9-18)27-14-4-7-19(27)15-17-5-2-1-3-6-17/h1-7,10,13-14,16,18,21,26,28H,8-9,11-12,15H2,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM210949 (4-(2-benzyl-1H-pyrrol-1-yl)-2-(((1r,4r)-4-hydroxyc...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1 |(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,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;8.48,-6.42,;7.34,-5.39,)| Show InChI InChI=1S/C24H27N3O2/c25-24(29)22-13-10-20(16-23(22)26-18-8-11-21(28)12-9-18)27-14-4-7-19(27)15-17-5-2-1-3-6-17/h1-7,10,13-14,16,18,21,26,28H,8-9,11-12,15H2,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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