Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   

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
Dimer of Gag-Pol polyprotein [501-599]   (99/99 = 100%)† (Human immunodeficiency virus type 1)	BDBM17351 ((4S)-4-[(2S)-2-{[(3S)-3-{[(tert-butoxy)carbonyl]am...) Show SMILES CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C38H49N5O7/c1-38(2,3)50-37(49)41-29(23-26-13-7-4-8-14-26)21-22-40-32(25-28-17-11-6-12-18-28)36(48)42-30(19-20-33(44)45)35(47)43-31(34(39)46)24-27-15-9-5-10-16-27/h4-18,29-32,40H,19-25H2,1-3H3,(H2,39,46)(H,41,49)(H,42,48)(H,43,47)(H,44,45)/t29-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	4.7	n/a
Academy of Sciences of the Czech Republic					Assay Description Inhibition constants were determined by a spectrophotometric assay with the chromogenic peptide substrate.				J Med Chem 46: 1636-44 (2003) Article DOI: 10.1021/jm021079g BindingDB Entry DOI: 10.7270/Q29Z932M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587]   (98/99 = 99%)† (Human immunodeficiency virus type 1)	BDBM17351 ((4S)-4-[(2S)-2-{[(3S)-3-{[(tert-butoxy)carbonyl]am...) Show SMILES CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C38H49N5O7/c1-38(2,3)50-37(49)41-29(23-26-13-7-4-8-14-26)21-22-40-32(25-28-17-11-6-12-18-28)36(48)42-30(19-20-33(44)45)35(47)43-31(34(39)46)24-27-15-9-5-10-16-27/h4-18,29-32,40H,19-25H2,1-3H3,(H2,39,46)(H,41,49)(H,42,48)(H,43,47)(H,44,45)/t29-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease				J Med Chem 49: 5777-84 (2006) Article DOI: 10.1021/jm0605583 BindingDB Entry DOI: 10.7270/Q2X63MK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587]   (98/99 = 99%)† (Human immunodeficiency virus type 1)	BDBM17351 ((4S)-4-[(2S)-2-{[(3S)-3-{[(tert-butoxy)carbonyl]am...) Show SMILES CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C38H49N5O7/c1-38(2,3)50-37(49)41-29(23-26-13-7-4-8-14-26)21-22-40-32(25-28-17-11-6-12-18-28)36(48)42-30(19-20-33(44)45)35(47)43-31(34(39)46)24-27-15-9-5-10-16-27/h4-18,29-32,40H,19-25H2,1-3H3,(H2,39,46)(H,41,49)(H,42,48)(H,43,47)(H,44,45)/t29-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of HIV1 protease I8 mutant				J Med Chem 49: 5777-84 (2006) Article DOI: 10.1021/jm0605583 BindingDB Entry DOI: 10.7270/Q2X63MK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,A572V,V583T,I585V]   (96/99 = 97%)† (Human immunodeficiency virus type 1)	BDBM17351 ((4S)-4-[(2S)-2-{[(3S)-3-{[(tert-butoxy)carbonyl]am...) Show SMILES CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C38H49N5O7/c1-38(2,3)50-37(49)41-29(23-26-13-7-4-8-14-26)21-22-40-32(25-28-17-11-6-12-18-28)36(48)42-30(19-20-33(44)45)35(47)43-31(34(39)46)24-27-15-9-5-10-16-27/h4-18,29-32,40H,19-25H2,1-3H3,(H2,39,46)(H,41,49)(H,42,48)(H,43,47)(H,44,45)/t29-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	4.7	n/a
Academy of Sciences of the Czech Republic					Assay Description Inhibition constants were determined by a spectrophotometric assay with the chromogenic peptide substrate.				J Med Chem 46: 1636-44 (2003) Article DOI: 10.1021/jm021079g BindingDB Entry DOI: 10.7270/Q29Z932M
					More data for this Ligand-Target Pair				3D Structure (crystal)

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