BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
25066	CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12	InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	CBVCZFGXHXORBI-PXQQMZJSSA-N	517	(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide::CHEMBL115::Crixivan::INDINAVIR SULFATE::Indinavir::Indinavir, 19::L-735, 524::MK639	Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S]	Human immunodeficiency virus 1	 0.55						5	22.00 C	Curated from the literature by BindingDB	10.1016/j.jmb.2005.09.095	10.7270/Q2KP80CR	16277992	aid1797112		Liu, F; Boross, PI; Wang, YF; Tozser, J; Louis, JM; Harrison, RW; Weber, IT	Georgia State University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=517	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=159&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%2CQ508K%2CL534I%2CL564I%2CC568A%2CC596A%2CG574S%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=517&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%2CQ508K%2CL534I%2CL564I%2CC568A%2CC596A%2CG574S%5D&column=ki&startPg=0&Increment=50&submit=Search	MK1	1K6C,2AVV,2AVS,2AVO,2BPX,1C6Y,1SGU,1HSG,1HSH,1SDT,1SDU,1SDV,2R5P,2B7Z,3WSJ	5362440	8030462	44032	CHEMBL115				ZINC22448696	1	PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAISTVLVGPTPVNIIGRNLLTQIGATLNF	1F7A,1IZI,1KJ4,1KJ7,1KJF,1KJG,1KJH,1TSU,2AVV,2FGU,2FGV,2FNS,2JE4,2O4N,3EL4,3EM3,3OXV,4EP2,4EP3,4EPJ,4QJ9,4QJA,6OPU	Gag-Pol polyprotein	POL_HV1BR	P03367							
25067	CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(N)=O	InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/t25-,27-,28-,29-,30-,31-,33-/m0/s1	SGWAZUZKMXHYMB-UQGDEETHSA-N	13935	(4S)-4-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentyl]amino}-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl}ethyl]carbamoyl}butanoic acid::H-Arg-Val-Leu-r-Phe-Glu-Ala-Nle-NH2::N-1270::Peptide Inhibitor CA/p2::R-V-L-r-F-E-A-Nle	Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S]	Human immunodeficiency virus 1	 330						5	22.00 C	Curated from the literature by BindingDB	10.1016/j.jmb.2005.09.095	10.7270/Q2KP80CR	16277992	aid1797112		Liu, F; Boross, PI; Wang, YF; Tozser, J; Louis, JM; Harrison, RW; Weber, IT	Georgia State University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13935	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=159&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%2CQ508K%2CL534I%2CL564I%2CC568A%2CC596A%2CG574S%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13935&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%2CQ508K%2CL534I%2CL564I%2CC568A%2CC596A%2CG574S%5D&column=ki&startPg=0&Increment=50&submit=Search		1EBK,1FFF,1FG8,1K2C,2AOE	5496638	46512957						ZINC96210483	1	PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAISTVLVGPTPVNIIGRNLLTQIGATLNF	1F7A,1IZI,1KJ4,1KJ7,1KJF,1KJG,1KJH,1TSU,2AVV,2FGU,2FGV,2FNS,2JE4,2O4N,3EL4,3EM3,3OXV,4EP2,4EP3,4EPJ,4QJ9,4QJA,6OPU	Gag-Pol polyprotein	POL_HV1BR	P03367							
25068	CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC	InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1	MQPXOVRKKPPKFZ-QYKDHROSSA-N	13936	(2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2-[(2S)-2-{[(2S)-2-[(2S,3S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]-3-methylpentanamido]hexyl]amino}hexanamido]pentanediamide::Ac-Thr-Ile-Nle-r-Nle-Gln-Arg-NH2::Ace-T-I-Nle-r-Nle-Q-R::CHEMBL48996::N-1465::Peptide Inhibitor p2/NC	Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S]	Human immunodeficiency virus 1	 3300						5	22.00 C	Curated from the literature by BindingDB	10.1016/j.jmb.2005.09.095	10.7270/Q2KP80CR	16277992	aid1797112		Liu, F; Boross, PI; Wang, YF; Tozser, J; Louis, JM; Harrison, RW; Weber, IT	Georgia State University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13936	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=159&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%2CQ508K%2CL534I%2CL564I%2CC568A%2CC596A%2CG574S%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13936&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%2CQ508K%2CL534I%2CL564I%2CC568A%2CC596A%2CG574S%5D&column=ki&startPg=0&Increment=50&submit=Search		3BVA	449521	46512958		CHEMBL48996				ZINC85479338	1	PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAISTVLVGPTPVNIIGRNLLTQIGATLNF	1F7A,1IZI,1KJ4,1KJ7,1KJF,1KJG,1KJH,1TSU,2AVV,2FGU,2FGV,2FNS,2JE4,2O4N,3EL4,3EM3,3OXV,4EP2,4EP3,4EPJ,4QJ9,4QJA,6OPU	Gag-Pol polyprotein	POL_HV1BR	P03367