BindingDB PrimarySearch

BDBM1437 5-methoxyindole-2-carboxylic acid [N -[3-(aminoethyl)pyridin-2-yl]piperazide]::BHAP deriv.::CHEMBL280527::CHEMBL7264::N-ethyl-2-{4-[(5-methoxy-1H-indol-2-yl)carbonyl]piperazin-1-yl}pyridin-3-amine::U-87201E::bis(heteroaryl)piperazine analog

SMILES: CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1

InChI Key: InChIKey=UCPOMLWZWRTIAA-UHFFFAOYSA-N

Data: 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 1437
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	8.3	28
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
Upjohn					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 36: 2526-35 (1993) Article DOI: 10.1021/jm00069a011 BindingDB Entry DOI: 10.7270/Q2BR8QCZ
Boehringer Mannheim GmbH					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	8.2	n/a
Merck Research Laboratories					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 36: 1291-4 (1993) Article DOI: 10.1021/jm00061a022 BindingDB Entry DOI: 10.7270/Q2RV0KWR
Merck Research Laboratories					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a	8.2	n/a
Merck Research Laboratories					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 36: 1291-4 (1993) Article DOI: 10.1021/jm00061a022 BindingDB Entry DOI: 10.7270/Q2RV0KWR
Merck Research Laboratories					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
Upjohn					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of wild type recombinant HIV1 reverse transcriptase using poly(rA)-oligo(dT) as template/primer				J Med Chem 62: 4851-4883 (2019) Article DOI: 10.1021/acs.jmedchem.8b00843
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
Upjohn					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated in vitro against HIV- I reverse transcriptase (RT)				Bioorg Med Chem Lett 5: 1875-1880 (1995) Article DOI: 10.1016/0960-894X(95)00311-G BindingDB Entry DOI: 10.7270/Q2BC3ZGH
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 39: 5267-75 (1997) Article DOI: 10.1021/jm960269m BindingDB Entry DOI: 10.7270/Q2XK8DPT
Pharmacia & Upjohn Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase in cell free Quan-T-RT by scintillation proximity assay				Bioorg Med Chem Lett 19: 2420-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.069 BindingDB Entry DOI: 10.7270/Q2W098R8
National Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (P236L) (Human immunodeficiency virus type 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
Upjohn					More data for this Ligand-Target Pair