BDBM50538549 CHEMBL4641424

SMILES: Nc1cc(ccn1)-c1cc(Cl)cc2CC(Oc12)C(=O)N1CCNCC1

InChI Key: InChIKey=JGHCITCCEQEXTL-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50538549   

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))	BDBM50538549 (CHEMBL4641424) Show SMILES Nc1cc(ccn1)-c1cc(Cl)cc2CC(Oc12)C(=O)N1CCNCC1 Show InChI InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin C-terminal Hydrolase L3 (UCH-L3) (Homo sapiens (Human))	BDBM50538549 (CHEMBL4641424) Show SMILES Nc1cc(ccn1)-c1cc(Cl)cc2CC(Oc12)C(=O)N1CCNCC1 Show InChI InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human GST-tagged UCHL3 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine1...				J Med Chem 63: 5398-5420 (2020)
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47 (Homo sapiens (Human))	BDBM50538549 (CHEMBL4641424) Show SMILES Nc1cc(ccn1)-c1cc(Cl)cc2CC(Oc12)C(=O)N1CCNCC1 Show InChI InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of USP47 (unknown origin) by biochemical assay				J Med Chem 63: 5398-5420 (2020)
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50538549 (CHEMBL4641424) Show SMILES Nc1cc(ccn1)-c1cc(Cl)cc2CC(Oc12)C(=O)N1CCNCC1 Show InChI InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine...				J Med Chem 63: 5398-5420 (2020)
					More data for this Ligand-Target Pair