BDBM50075295 CHEMBL3414875

SMILES: COc1ccc(cc1F)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1

InChI Key: InChIKey=UOKHEOBABIBETG-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50075295   

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)	BDBM50075295 (CHEMBL3414875) Show SMILES COc1ccc(cc1F)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H18FNO4/c1-29-21-9-7-17(12-20(21)24)16-5-2-14(3-6-16)10-15-4-8-19-18(11-15)13-22(26)25(28)23(19)27/h2-9,11-12,28H,10,13H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV integrase pre-incubated for 10 mins before DNA substrate addition				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075295 (CHEMBL3414875) Show SMILES COc1ccc(cc1F)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H18FNO4/c1-29-21-9-7-17(12-20(21)24)16-5-2-14(3-6-16)10-15-4-8-19-18(11-15)13-22(26)25(28)23(19)27/h2-9,11-12,28H,10,13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using ...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075295 (CHEMBL3414875) Show SMILES COc1ccc(cc1F)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H18FNO4/c1-29-21-9-7-17(12-20(21)24)16-5-2-14(3-6-16)10-15-4-8-19-18(11-15)13-22(26)25(28)23(19)27/h2-9,11-12,28H,10,13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by li...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075295 (CHEMBL3414875) Show SMILES COc1ccc(cc1F)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H18FNO4/c1-29-21-9-7-17(12-20(21)24)16-5-2-14(3-6-16)10-15-4-8-19-18(11-15)13-22(26)25(28)23(19)27/h2-9,11-12,28H,10,13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed clea...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075295 (CHEMBL3414875) Show SMILES COc1ccc(cc1F)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H18FNO4/c1-29-21-9-7-17(12-20(21)24)16-5-2-14(3-6-16)10-15-4-8-19-18(11-15)13-22(26)25(28)23(19)27/h2-9,11-12,28H,10,13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50075295 (CHEMBL3414875) Show SMILES COc1ccc(cc1F)-c1ccc(Cc2ccc3C(=O)N(O)C(=O)Cc3c2)cc1 Show InChI InChI=1S/C23H18FNO4/c1-29-21-9-7-17(12-20(21)24)16-5-2-14(3-6-16)10-15-4-8-19-18(11-15)13-22(26)25(28)23(19)27/h2-9,11-12,28H,10,13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in RNA 5' end directed clea...				J Med Chem 58: 651-64 (2015) Article DOI: 10.1021/jm501132s BindingDB Entry DOI: 10.7270/Q2W95BWG
					More data for this Ligand-Target Pair