BDBM50170835 CHEMBL3804966

SMILES: [H][C@@]12CCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O

InChI Key: InChIKey=BAPPEEFNOHFHHS-INIZCTEOSA-N

Data: 2 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 2 hits for monomerid = 50170835   

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
Integrase (Human immunodeficiency virus 1)	BDBM50170835 (CHEMBL3804966) Show SMILES [H][C@@]12CCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C22H15ClFN3O2/c23-15-4-1-3-12(19(15)24)7-11-8-13-14(9-25)17-16-5-2-6-27(16)22(29)18(17)21(28)20(13)26-10-11/h1,3-4,8,10,16,28H,2,5-7H2/t16-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells afte...				Eur J Med Chem 117: 99-112 (2016) BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50170835 (CHEMBL3804966) Show SMILES [H][C@@]12CCCN1C(=O)c1c2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C22H15ClFN3O2/c23-15-4-1-3-12(19(15)24)7-11-8-13-14(9-25)17-16-5-2-6-27(16)22(29)18(17)21(28)20(13)26-10-11/h1,3-4,8,10,16,28H,2,5-7H2/t16-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2...				Eur J Med Chem 117: 99-112 (2016) BindingDB Entry DOI: 10.7270/Q2G162R8
					More data for this Ligand-Target Pair