null

SMILES: CC1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)c4ccc(cc4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NCCC(N)=N)=CC3C)=CC2C)C=C1C(=O)NCCC(N)=N

InChI Key: InChIKey=QECKQKHUNCHMGA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141236   

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)	BDBM50141236 (CHEMBL216058 | N,N'-Bis-(4-{4-[4-(2-carbamimidoyl-...) Show SMILES CC1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)c4ccc(cc4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NC4=CC(C)C(=C4)C(=O)NCCC(N)=N)=CC3C)=CC2C)C=C1C(=O)NCCC(N)=N |c:33,43,53,63,67,72,t:2,7,13,29,39,49| Show InChI InChI=1S/C56H62N12O8/c1-27-15-37(21-41(27)51(71)61-13-11-47(57)58)65-55(75)45-25-39(19-31(45)5)67-53(73)43-23-35(17-29(43)3)63-49(69)33-7-9-34(10-8-33)50(70)64-36-18-30(4)44(24-36)54(74)68-40-20-32(6)46(26-40)56(76)66-38-16-28(2)42(22-38)52(72)62-14-12-48(59)60/h7-10,15-32H,11-14H2,1-6H3,(H3,57,58)(H3,59,60)(H,61,71)(H,62,72)(H,63,69)(H,64,70)(H,65,75)(H,66,76)(H,67,73)(H,68,74)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair