BDBM50170870 CHEMBL3805182

SMILES: [H][C@@]12CCCCN1C(=O)c1c2c(C(N)=O)c2cc(Cc3cccc(Cl)c3F)cnc2c1O

InChI Key: InChIKey=IJMJMINUWKUWGH-HNNXBMFYSA-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 = 50170870   

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)	BDBM50170870 (CHEMBL3805182) Show SMILES [H][C@@]12CCCCN1C(=O)c1c2c(C(N)=O)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-14-5-3-4-12(19(14)25)8-11-9-13-16(22(26)30)17-15-6-1-2-7-28(15)23(31)18(17)21(29)20(13)27-10-11/h3-5,9-10,15,29H,1-2,6-8H2,(H2,26,30)/t15-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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)	BDBM50170870 (CHEMBL3805182) Show SMILES [H][C@@]12CCCCN1C(=O)c1c2c(C(N)=O)c2cc(Cc3cccc(Cl)c3F)cnc2c1O |r| Show InChI InChI=1S/C23H19ClFN3O3/c24-14-5-3-4-12(19(14)25)8-11-9-13-16(22(26)30)17-15-6-1-2-7-28(15)23(31)18(17)21(29)20(13)27-10-11/h3-5,9-10,15,29H,1-2,6-8H2,(H2,26,30)/t15-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	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