BDBM50081624 CHEMBL132491::N-(2-{4-[(3-Methoxymethyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carbonyl}-1H-indol-5-yl)-methanesulfonamide

SMILES: COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

InChI Key: InChIKey=UWOGACPKMAWKNQ-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 = 50081624   

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)	BDBM50081624 (CHEMBL132491 | N-(2-{4-[(3-Methoxymethyl-pyridin-2...) Show SMILES COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H29N5O4S/c1-27(22-16(15-32-2)5-4-10-24-22)19-8-11-28(12-9-19)23(29)21-14-17-13-18(26-33(3,30)31)6-7-20(17)25-21/h4-7,10,13-14,19,25-26H,8-9,11-12,15H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50081624 (CHEMBL132491 | N-(2-{4-[(3-Methoxymethyl-pyridin-2...) Show SMILES COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H29N5O4S/c1-27(22-16(15-32-2)5-4-10-24-22)19-8-11-28(12-9-19)23(29)21-14-17-13-18(26-33(3,30)31)6-7-20(17)25-21/h4-7,10,13-14,19,25-26H,8-9,11-12,15H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50081624 (CHEMBL132491 | N-(2-{4-[(3-Methoxymethyl-pyridin-2...) Show SMILES COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H29N5O4S/c1-27(22-16(15-32-2)5-4-10-24-22)19-8-11-28(12-9-19)23(29)21-14-17-13-18(26-33(3,30)31)6-7-20(17)25-21/h4-7,10,13-14,19,25-26H,8-9,11-12,15H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	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