BDBM50170604 CHEMBL3805585

SMILES: Oc1c2C(=O)N3CCCN3Cc2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc12

InChI Key: InChIKey=CYJVKJHOTQQQQB-UHFFFAOYSA-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 = 50170604   

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)	BDBM50170604 (CHEMBL3805585) Show SMILES Oc1c2C(=O)N3CCCN3Cc2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc12 Show InChI InChI=1S/C22H16ClFN4O2/c23-17-4-1-3-13(19(17)24)7-12-8-14-15(9-25)16-11-27-5-2-6-28(27)22(30)18(16)21(29)20(14)26-10-12/h1,3-4,8,10,29H,2,5-7,11H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	415	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)	BDBM50170604 (CHEMBL3805585) Show SMILES Oc1c2C(=O)N3CCCN3Cc2c(C#N)c2cc(Cc3cccc(Cl)c3F)cnc12 Show InChI InChI=1S/C22H16ClFN4O2/c23-17-4-1-3-13(19(17)24)7-12-8-14-15(9-25)16-11-27-5-2-6-28(27)22(30)18(16)21(29)20(14)26-10-12/h1,3-4,8,10,29H,2,5-7,11H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	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