BDBM50035468 4-(4-Hydroxy-9,10-dioxo-9,10-dihydro-anthracen-1-ylamino)-N,N-bis-(2-hydroxy-ethyl)-benzenesulfonamide::CHEMBL128547::NSC-115290

SMILES: OCCN(CCO)S(=O)(=O)c1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1

InChI Key: InChIKey=RWRVDPVYYPGYQI-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50035468   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50035468 (4-(4-Hydroxy-9,10-dioxo-9,10-dihydro-anthracen-1-y...) Show SMILES OCCN(CCO)S(=O)(=O)c1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1 Show InChI InChI=1S/C24H22N2O7S/c27-13-11-26(12-14-28)34(32,33)16-7-5-15(6-8-16)25-19-9-10-20(29)22-21(19)23(30)17-3-1-2-4-18(17)24(22)31/h1-10,25,27-29H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity of the compound with protein kinase C (PK-C) alpha bound to labeled [20-3H]-PDBU at a conc of 30 ug/mL				J Med Chem 37: 4479-89 (1995) BindingDB Entry DOI: 10.7270/Q2RN36W8
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50035468 (4-(4-Hydroxy-9,10-dioxo-9,10-dihydro-anthracen-1-y...) Show SMILES OCCN(CCO)S(=O)(=O)c1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1 Show InChI InChI=1S/C24H22N2O7S/c27-13-11-26(12-14-28)34(32,33)16-7-5-15(6-8-16)25-19-9-10-20(29)22-21(19)23(30)17-3-1-2-4-18(17)24(22)31/h1-10,25,27-29H,11-14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against 3' processing by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50035468 (4-(4-Hydroxy-9,10-dioxo-9,10-dihydro-anthracen-1-y...) Show SMILES OCCN(CCO)S(=O)(=O)c1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1 Show InChI InChI=1S/C24H22N2O7S/c27-13-11-26(12-14-28)34(32,33)16-7-5-15(6-8-16)25-19-9-10-20(29)22-21(19)23(30)17-3-1-2-4-18(17)24(22)31/h1-10,25,27-29H,11-14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 integrase				J Med Chem 40: 920-9 (1997) Article DOI: 10.1021/jm960596u BindingDB Entry DOI: 10.7270/Q2S75H1Q
					More data for this Ligand-Target Pair