BDBM50081629 2-{[1-(5-Methanesulfonylamino-1H-indole-2-carbonyl)-piperidin-4-yl]-methyl-amino}-nicotinic acid methyl ester::CHEMBL130177

SMILES: COC(=O)c1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

InChI Key: InChIKey=VUIHMLIDUYCGNJ-UHFFFAOYSA-N

Data: 3 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 = 50081629   

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)	BDBM50081629 (2-{[1-(5-Methanesulfonylamino-1H-indole-2-carbonyl...) Show SMILES COC(=O)c1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H27N5O5S/c1-27(21-18(23(30)33-2)5-4-10-24-21)17-8-11-28(12-9-17)22(29)20-14-15-13-16(26-34(3,31)32)6-7-19(15)25-20/h4-7,10,13-14,17,25-26H,8-9,11-12H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50081629 (2-{[1-(5-Methanesulfonylamino-1H-indole-2-carbonyl...) Show SMILES COC(=O)c1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H27N5O5S/c1-27(21-18(23(30)33-2)5-4-10-24-21)17-8-11-28(12-9-17)22(29)20-14-15-13-16(26-34(3,31)32)6-7-19(15)25-20/h4-7,10,13-14,17,25-26H,8-9,11-12H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50081629 (2-{[1-(5-Methanesulfonylamino-1H-indole-2-carbonyl...) Show SMILES COC(=O)c1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H27N5O5S/c1-27(21-18(23(30)33-2)5-4-10-24-21)17-8-11-28(12-9-17)22(29)20-14-15-13-16(26-34(3,31)32)6-7-19(15)25-20/h4-7,10,13-14,17,25-26H,8-9,11-12H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair