BDBM50081628 CHEMBL336635::N-(2-{4-[(3-Ethyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carbonyl}-1H-indol-5-yl)-methanesulfonamide

SMILES: CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

InChI Key: InChIKey=XGLHQQJIAXWDRG-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 = 50081628   

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)	BDBM50081628 (CHEMBL336635 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-met...) Show SMILES CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H29N5O3S/c1-4-16-6-5-11-24-22(16)27(2)19-9-12-28(13-10-19)23(29)21-15-17-14-18(26-32(3,30)31)7-8-20(17)25-21/h5-8,11,14-15,19,25-26H,4,9-10,12-13H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50081628 (CHEMBL336635 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-met...) Show SMILES CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H29N5O3S/c1-4-16-6-5-11-24-22(16)27(2)19-9-12-28(13-10-19)23(29)21-15-17-14-18(26-32(3,30)31)7-8-20(17)25-21/h5-8,11,14-15,19,25-26H,4,9-10,12-13H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	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)	BDBM50081628 (CHEMBL336635 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-met...) Show SMILES CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H29N5O3S/c1-4-16-6-5-11-24-22(16)27(2)19-9-12-28(13-10-19)23(29)21-15-17-14-18(26-32(3,30)31)7-8-20(17)25-21/h5-8,11,14-15,19,25-26H,4,9-10,12-13H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	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