null

SMILES: [H][C@@]12NC(=O)[C@H](NC(=O)[C@H](N)Cc3c[nH]c4c(cccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(O)=O)cc1)c3O)c1cc(Cl)c(O)c(Cl)c1

InChI Key: InChIKey=ITEJDHVEYLBYQP-DDFLMXQMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50478734   

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)	BDBM50478734 (CHEMBL448564) Show SMILES [H][C@@]12NC(=O)[C@H](NC(=O)[C@H](N)Cc3c[nH]c4c(cccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(O)=O)cc1)c3O)c1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C45H36Cl4N6O10/c1-55-32(45(63)64)9-18-5-7-23(8-6-18)65-33-16-19-10-26(38(33)56)25-4-2-3-24-22(17-51-37(24)25)15-31(50)41(59)52-35(20-11-27(46)39(57)28(47)12-20)42(60)53-34(19)43(61)54-36(44(55)62)21-13-29(48)40(58)30(49)14-21/h2-8,10-14,16-17,31-32,34-36,51,56-58H,9,15,50H2,1H3,(H,52,59)(H,53,60)(H,54,61)(H,63,64)/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	6.00E+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 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)	BDBM50478734 (CHEMBL448564) Show SMILES [H][C@@]12NC(=O)[C@H](NC(=O)[C@H](N)Cc3c[nH]c4c(cccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(O)=O)cc1)c3O)c1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C45H36Cl4N6O10/c1-55-32(45(63)64)9-18-5-7-23(8-6-18)65-33-16-19-10-26(38(33)56)25-4-2-3-24-22(17-51-37(24)25)15-31(50)41(59)52-35(20-11-27(46)39(57)28(47)12-20)42(60)53-34(19)43(61)54-36(44(55)62)21-13-29(48)40(58)30(49)14-21/h2-8,10-14,16-17,31-32,34-36,51,56-58H,9,15,50H2,1H3,(H,52,59)(H,53,60)(H,54,61)(H,63,64)/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	500	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