BDBM210947 2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyridin-3-yl)-1H-pyrrol-1-yl)benzamide (5i)::US10975030, Compound 5i

SMILES: NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccnc1

InChI Key: InChIKey=DXVJSFNJKWFMNJ-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 = 210947   

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))	BDBM210947 (2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)| Show InChI InChI=1S/C22H24N4O2/c23-22(28)19-10-7-17(13-20(19)25-16-5-8-18(27)9-6-16)26-12-2-4-21(26)15-3-1-11-24-14-15/h1-4,7,10-14,16,18,25,27H,5-6,8-9H2,(H2,23,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.50E+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))	BDBM210947 (2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)| Show InChI InChI=1S/C22H24N4O2/c23-22(28)19-10-7-17(13-20(19)25-16-5-8-18(27)9-6-16)26-12-2-4-21(26)15-3-1-11-24-14-15/h1-4,7,10-14,16,18,25,27H,5-6,8-9H2,(H2,23,28)	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))	BDBM210947 (2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)| Show InChI InChI=1S/C22H24N4O2/c23-22(28)19-10-7-17(13-20(19)25-16-5-8-18(27)9-6-16)26-12-2-4-21(26)15-3-1-11-24-14-15/h1-4,7,10-14,16,18,25,27H,5-6,8-9H2,(H2,23,28)	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