null

SMILES: CN([C@@H](Cc1ccc(Oc2cc3cc(c2O)-c2cccc4c(C[C@@H](N)C(=O)N[C@H](c5cc(Cl)c(O)c(Cl)c5)C(=O)N[C@H]3C(O)=O)c[nH]c24)cc1)C(O)=O)C(=O)[C@H](N)c1cc(Cl)c(O)c(Cl)c1

InChI Key: InChIKey=OBVRWLQPAGXNFZ-DDFLMXQMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50478739   

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)	BDBM50478739 (CHEMBL448271) Show SMILES CN([C@@H](Cc1ccc(Oc2cc3cc(c2O)-c2cccc4c(C[C@@H](N)C(=O)N[C@H](c5cc(Cl)c(O)c(Cl)c5)C(=O)N[C@H]3C(O)=O)c[nH]c24)cc1)C(O)=O)C(=O)[C@H](N)c1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C45H38Cl4N6O11/c1-55(43(61)34(51)19-11-27(46)39(57)28(47)12-19)32(44(62)63)9-18-5-7-23(8-6-18)66-33-16-20-10-26(38(33)56)25-4-2-3-24-22(17-52-37(24)25)15-31(50)41(59)53-35(42(60)54-36(20)45(64)65)21-13-29(48)40(58)30(49)14-21/h2-8,10-14,16-17,31-32,34-36,52,56-58H,9,15,50-51H2,1H3,(H,53,59)(H,54,60)(H,62,63)(H,64,65)/t31-,32+,34-,35-,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Nat Prod 64: 874-82 (2001) Article DOI: 10.1021/np000632z BindingDB Entry DOI: 10.7270/Q22N552N
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478739 (CHEMBL448271) Show SMILES CN([C@@H](Cc1ccc(Oc2cc3cc(c2O)-c2cccc4c(C[C@@H](N)C(=O)N[C@H](c5cc(Cl)c(O)c(Cl)c5)C(=O)N[C@H]3C(O)=O)c[nH]c24)cc1)C(O)=O)C(=O)[C@H](N)c1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C45H38Cl4N6O11/c1-55(43(61)34(51)19-11-27(46)39(57)28(47)12-19)32(44(62)63)9-18-5-7-23(8-6-18)66-33-16-20-10-26(38(33)56)25-4-2-3-24-22(17-52-37(24)25)15-31(50)41(59)53-35(42(60)54-36(20)45(64)65)21-13-29(48)40(58)30(49)14-21/h2-8,10-14,16-17,31-32,34-36,52,56-58H,9,15,50-51H2,1H3,(H,53,59)(H,54,60)(H,62,63)(H,64,65)/t31-,32+,34-,35-,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3' processing/strand transfer coupled activity				J Nat Prod 64: 874-82 (2001) Article DOI: 10.1021/np000632z BindingDB Entry DOI: 10.7270/Q22N552N
					More data for this Ligand-Target Pair