BDBM50102274 1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrolo[1,2-a]quinoxalin-4-yloxy)-ethyl]-thiourea::CHEMBL317406

SMILES: Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C

InChI Key: InChIKey=KFMGHZLWRUNPSU-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 50102274   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50102274 (1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...) Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A				J Med Chem 44: 305-15 (2001) BindingDB Entry DOI: 10.7270/Q2HX1DD9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50102274 (1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...) Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of HIV-1 wild-type RT				J Med Chem 44: 305-15 (2001) BindingDB Entry DOI: 10.7270/Q2HX1DD9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50102274 (1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...) Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N				J Med Chem 44: 305-15 (2001) BindingDB Entry DOI: 10.7270/Q2HX1DD9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50102274 (1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...) Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001				J Med Chem 44: 305-15 (2001) BindingDB Entry DOI: 10.7270/Q2HX1DD9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50102274 (1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...) Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y181I				J Med Chem 44: 305-15 (2001) BindingDB Entry DOI: 10.7270/Q2HX1DD9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50102274 (1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...) Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V179D				J Med Chem 44: 305-15 (2001) BindingDB Entry DOI: 10.7270/Q2HX1DD9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50102274 (1-(5-Bromo-pyridin-2-yl)-3-[2-(7,8-dimethyl-pyrrol...) Show SMILES Cc1cc2nc(OCCNC(=S)Nc3ccc(Br)cn3)c3cccn3c2cc1C Show InChI InChI=1S/C21H20BrN5OS/c1-13-10-16-18(11-14(13)2)27-8-3-4-17(27)20(25-16)28-9-7-23-21(29)26-19-6-5-15(22)12-24-19/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y188L				J Med Chem 44: 305-15 (2001) BindingDB Entry DOI: 10.7270/Q2HX1DD9
					More data for this Ligand-Target Pair