BDBM210963 4-(2-(2,6-difluorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-4hydroxycyclohexyl)amino)benzamide (8n)

SMILES: NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cccc1Cc1c(F)cccc1F

InChI Key: InChIKey=AJFFJZOZYVBKKV-RZDIXWSQSA-N

Data: 2 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 2 hits for monomerid = 210963   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM210963 (4-(2-(2,6-difluorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,...) Show SMILES NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cccc1Cc1c(F)cccc1F |r,wU:10.10,wD:13.14,(21.96,-8.2,;20.62,-7.43,;19.29,-8.2,;20.62,-5.89,;21.96,-5.12,;21.96,-3.58,;20.62,-2.81,;19.29,-3.58,;19.29,-5.12,;17.96,-5.89,;16.62,-5.12,;15.29,-5.89,;13.96,-5.12,;13.96,-3.58,;12.62,-2.81,;15.29,-2.81,;16.62,-3.58,;20.62,-1.27,;19.38,-.36,;19.85,1.1,;21.39,1.1,;21.87,-.36,;23.34,-.84,;24.48,.19,;25.94,-.28,;26.26,-1.79,;27.09,.75,;26.77,2.26,;25.3,2.73,;24.16,1.7,;22.7,2.18,)| Show InChI InChI=1S/C24H25F2N3O2/c25-21-4-1-5-22(26)20(21)13-16-3-2-12-29(16)17-8-11-19(24(27)31)23(14-17)28-15-6-9-18(30)10-7-15/h1-5,8,11-12,14-15,18,28,30H,6-7,9-10,13H2,(H2,27,31)/t15-,18-	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
Endoplasmin (Homo sapiens (Human))	BDBM210963 (4-(2-(2,6-difluorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,...) Show SMILES NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cccc1Cc1c(F)cccc1F |r,wU:10.10,wD:13.14,(21.96,-8.2,;20.62,-7.43,;19.29,-8.2,;20.62,-5.89,;21.96,-5.12,;21.96,-3.58,;20.62,-2.81,;19.29,-3.58,;19.29,-5.12,;17.96,-5.89,;16.62,-5.12,;15.29,-5.89,;13.96,-5.12,;13.96,-3.58,;12.62,-2.81,;15.29,-2.81,;16.62,-3.58,;20.62,-1.27,;19.38,-.36,;19.85,1.1,;21.39,1.1,;21.87,-.36,;23.34,-.84,;24.48,.19,;25.94,-.28,;26.26,-1.79,;27.09,.75,;26.77,2.26,;25.3,2.73,;24.16,1.7,;22.7,2.18,)| Show InChI InChI=1S/C24H25F2N3O2/c25-21-4-1-5-22(26)20(21)13-16-3-2-12-29(16)17-8-11-19(24(27)31)23(14-17)28-15-6-9-18(30)10-7-15/h1-5,8,11-12,14-15,18,28,30H,6-7,9-10,13H2,(H2,27,31)/t15-,18-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.50E+4	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