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SMILES: Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@H](CCOc2c1=O)C1CC1

InChI Key:

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 = 50597098   

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
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50597098 (CHEMBL5173162 | US20230287003, Example 6b) Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@H](CCOc2c1=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	38.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4PKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50597098 (CHEMBL5173162 | US20230287003, Example 6b) Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@H](CCOc2c1=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02174 BindingDB Entry DOI: 10.7270/Q2WQ07TK
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50597098 (CHEMBL5173162 | US20230287003, Example 6b) Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@H](CCOc2c1=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02174 BindingDB Entry DOI: 10.7270/Q2WQ07TK
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50597098 (CHEMBL5173162 | US20230287003, Example 6b) Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@H](CCOc2c1=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4PKC
					More data for this Ligand-Target Pair				3D Structure (crystal)