BDBM50250963 CHEMBL4076247

SMILES: CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2[nH]ncc2c1

InChI Key: InChIKey=ZHYXJQQBKROZDX-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50250963   

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
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50250963 (CHEMBL4076247) Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Progenra, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length native C-terminal USP7 (unknown origin) using Ub-Rho110 as substrate after 1 hr by fluorescence assay				J Med Chem 61: 422-443 (2018) Article DOI: 10.1021/acs.jmedchem.7b00498 BindingDB Entry DOI: 10.7270/Q2CR5WVG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50250963 (CHEMBL4076247) Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of USP7 in human SJSA cells assessed as increase in ubiquitinated MDM2 level after 16 hrs in presence of MG132 by MSD assay				J Med Chem 60: 10056-10070 (2017) Article DOI: 10.1021/acs.jmedchem.7b01293 BindingDB Entry DOI: 10.7270/Q2QV3PX8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50250963 (CHEMBL4076247) Show SMILES CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 r...				J Med Chem 60: 10056-10070 (2017) Article DOI: 10.1021/acs.jmedchem.7b01293 BindingDB Entry DOI: 10.7270/Q2QV3PX8
					More data for this Ligand-Target Pair				3D Structure (crystal)