BDBM50501285 CHEMBL3937452

SMILES: Cc1c(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(Cl)c2ccc(cc12)C#N

InChI Key: InChIKey=KFUNYNPQHKSQRQ-UHFFFAOYSA-N

Data: 3 EC50

PDB links: 2 PDB IDs match this monomer.

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 = 50501285   

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)	BDBM50501285 (CHEMBL3937452) Show SMILES Cc1c(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(Cl)c2ccc(cc12)C#N Show InChI InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant infected in human MT2 cells assessed as protection against viral infection by MTT ...				ACS Med Chem Lett 7: 1156-1160 (2016) Article DOI: 10.1021/acsmedchemlett.6b00390 BindingDB Entry DOI: 10.7270/Q2HM5CG6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50501285 (CHEMBL3937452) Show SMILES Cc1c(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(Cl)c2ccc(cc12)C#N Show InChI InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase p66/p51 K103N/Y181C mutant infected in human MT2 cells assessed as reduction in viral infection incubated fo...				J Med Chem 62: 9375-9414 (2019) Article DOI: 10.1021/acs.jmedchem.9b00359
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50501285 (CHEMBL3937452) Show SMILES Cc1c(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(Cl)c2ccc(cc12)C#N Show InChI InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT2 cells assessed as protection against viral infection by MTT assay				ACS Med Chem Lett 7: 1156-1160 (2016) Article DOI: 10.1021/acsmedchemlett.6b00390 BindingDB Entry DOI: 10.7270/Q2HM5CG6
					More data for this Ligand-Target Pair