BDBM50517412 CHEMBL4545315

SMILES: Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2CCCCc12)C#N

InChI Key: InChIKey=YIVBVHRQYIATNA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50517412   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50517412 (CHEMBL4545315) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cccc(c3)C(N)=O)CC2)nc2CCCCc12)C#N Show InChI InChI=1S/C30H34N6O2/c1-19-14-22(17-31)15-20(2)27(19)38-29-25-8-3-4-9-26(25)34-30(35-29)33-24-10-12-36(13-11-24)18-21-6-5-7-23(16-21)28(32)37/h5-7,14-16,24H,3-4,8-13,18H2,1-2H3,(H2,32,37)(H,33,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA				J Med Chem 62: 1484-1501 (2019) Article DOI: 10.1021/acs.jmedchem.8b01656
					More data for this Ligand-Target Pair