BDBM50029199 7,8-Dihydroxy-isoquinoline-3-carboxylic acid benzylamide::CHEMBL48436

SMILES: Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1

InChI Key: InChIKey=WFCYIYIPAWTFSM-UHFFFAOYSA-N

Data: 4 IC50

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 = 50029199   

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
Integrase (Human immunodeficiency virus 1)	BDBM50029199 (7,8-Dihydroxy-isoquinoline-3-carboxylic acid benzy...) Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H14N2O3/c20-15-7-6-12-8-14(18-10-13(12)16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029199 (7,8-Dihydroxy-isoquinoline-3-carboxylic acid benzy...) Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H14N2O3/c20-15-7-6-12-8-14(18-10-13(12)16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Integrase (HIV-1-IN)				J Med Chem 45: 841-52 (2002) BindingDB Entry DOI: 10.7270/Q28W3FGV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029199 (7,8-Dihydroxy-isoquinoline-3-carboxylic acid benzy...) Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H14N2O3/c20-15-7-6-12-8-14(18-10-13(12)16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of epidermal growth factor receptor (EGFR)				Bioorg Med Chem Lett 2: 1771-1774 (1992) Article DOI: 10.1016/S0960-894X(00)80473-4 BindingDB Entry DOI: 10.7270/Q2SF2W33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50029199 (7,8-Dihydroxy-isoquinoline-3-carboxylic acid benzy...) Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H14N2O3/c20-15-7-6-12-8-14(18-10-13(12)16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p56 lck tyrosine kinase				Bioorg Med Chem Lett 2: 1771-1774 (1992) Article DOI: 10.1016/S0960-894X(00)80473-4 BindingDB Entry DOI: 10.7270/Q2SF2W33
					More data for this Ligand-Target Pair