BDBM50446138 CHEMBL3108881

SMILES: Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1

InChI Key: InChIKey=HFCLIEBJTGJKSV-AEFFLSMTSA-N

Data: 3 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50446138   

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
Transcription elongation factor B polypeptide 1 (Homo sapiens (Human))	BDBM50446138 (CHEMBL3108881) Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1 |r| Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Displacement of FAM-DEALAHyp-YIPD from 6xHis-tagged VHL (1 to 213)/elongins-B/elonginC (unknown origin) expressed in Escherichia coli BL21 after 1 mi...				Bioorg Med Chem Lett 24: 2546-54 (2014) Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05
					More data for this Ligand-Target Pair				3D Structure (crystal)
Von Hippel-Lindau disease tumor suppressor protein (VBC) (Homo sapiens (Human))	BDBM50446138 (CHEMBL3108881) Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1 |r| Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titra...				J Med Chem 57: 8657-63 (2014) Article DOI: 10.1021/jm5011258 BindingDB Entry DOI: 10.7270/Q2HD7XDM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Von Hippel-Lindau disease tumor suppressor protein (VBC) (Homo sapiens (Human))	BDBM50446138 (CHEMBL3108881) Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1 |r| Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of VHL (unknown origin) by fluorescence polarization assay				J Med Chem 63: 7957-7985 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Von Hippel-Lindau disease tumor suppressor protein (VBC) (Homo sapiens (Human))	BDBM50446138 (CHEMBL3108881) Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1 |r| Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of 6xHis-tagged VHL (unknown origin) expressed in Escherichia coli BL21 cells by fluorescence polarization assay				J Med Chem 56: 9369-402 (2014) Article DOI: 10.1021/jm400386j BindingDB Entry DOI: 10.7270/Q290258T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Von Hippel-Lindau disease tumor suppressor protein (VBC) (Homo sapiens (Human))	BDBM50446138 (CHEMBL3108881) Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1 |r| Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis				ACS Med Chem Lett 5: 23-28 (2014) Article DOI: 10.1021/ml400296c BindingDB Entry DOI: 10.7270/Q2NK3GH1
					More data for this Ligand-Target Pair				3D Structure (crystal)