Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50478737'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50478737 (CHEMBL506051) 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 |r| Show InChI InChI=1S/C37H33Cl2N5O9/c1-41-27(36(49)50)9-16-5-7-20(8-6-16)53-28-14-17-10-23(32(28)45)22-4-2-3-21-19(15-42-31(21)22)13-26(40)34(47)43-29(35(48)44-30(17)37(51)52)18-11-24(38)33(46)25(39)12-18/h2-8,10-12,14-15,26-27,29-30,41-42,45-46H,9,13,40H2,1H3,(H,43,47)(H,44,48)(H,49,50)(H,51,52)/t26-,27+,29-,30-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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 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
Integrase (Human immunodeficiency virus 1)	BDBM50478737 (CHEMBL506051) 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 |r| Show InChI InChI=1S/C37H33Cl2N5O9/c1-41-27(36(49)50)9-16-5-7-20(8-6-16)53-28-14-17-10-23(32(28)45)22-4-2-3-21-19(15-42-31(21)22)13-26(40)34(47)43-29(35(48)44-30(17)37(51)52)18-11-24(38)33(46)25(39)12-18/h2-8,10-12,14-15,26-27,29-30,41-42,45-46H,9,13,40H2,1H3,(H,43,47)(H,44,48)(H,49,50)(H,51,52)/t26-,27+,29-,30-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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