Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'reboud-ravaux' and Initial = 'm'   

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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430967 (CHEMBL2337848) Show SMILES CC[C@H](C)C(=O)C(=O)N[C@H]1Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@H](O)[C@H](NC(=O)[C@H](CC(N)=O)CC1=O)C(=O)N\C=C/C |r| Show InChI InChI=1S/C34H39N5O10/c1-4-11-36-31(46)27-29(44)34(49)21-8-6-7-19(26(21)39-33(34)48)20-12-17(9-10-23(20)40)13-22(37-32(47)28(43)16(3)5-2)24(41)14-18(15-25(35)42)30(45)38-27/h4,6-12,16,18,22,27,29,40,44,49H,5,13-15H2,1-3H3,(H2,35,42)(H,36,46)(H,37,47)(H,38,45)(H,39,48)/b11-4-/t16-,18-,22-,27-,29+,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430968 (CHEMBL2337847) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C128H172N18O22/c1-91(119(157)143-107(121(159)137-87-95-45-15-3-16-46-95)85-127(165)101-53-31-33-55-103(101)145-125(127)163)139-123(161)105(83-93-67-71-99(72-68-93)167-89-97-49-19-5-20-50-97)141-117(155)65-29-13-43-81-133-113(151)61-25-9-39-77-129-109(147)57-23-7-37-75-131-111(149)59-27-11-41-79-135-115(153)63-35-36-64-116(154)136-80-42-12-28-60-112(150)132-76-38-8-24-58-110(148)130-78-40-10-26-62-114(152)134-82-44-14-30-66-118(156)142-106(84-94-69-73-100(74-70-94)168-90-98-51-21-6-22-52-98)124(162)140-92(2)120(158)144-108(122(160)138-88-96-47-17-4-18-48-96)86-128(166)102-54-32-34-56-104(102)146-126(128)164/h3-6,15-22,31-34,45-56,67-74,91-92,105-108,165-166H,7-14,23-30,35-44,57-66,75-90H2,1-2H3,(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,155)(H,142,156)(H,143,157)(H,144,158)(H,145,163)(H,146,164)/t91-,92-,105-,106-,107-,108-,127+,128+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430962 (CHEMBL2337843) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C98H117N13O17/c1-66(89(117)108-82(91(119)102-62-70-30-10-3-11-31-70)60-97(125)76-38-21-23-40-78(76)110-95(97)123)104-93(121)80(58-68-47-51-74(52-48-68)127-64-72-34-14-5-15-35-72)106-87(115)45-20-9-29-57-100-85(113)43-18-7-27-55-99-84(112)42-19-8-28-56-101-86(114)44-25-26-46-88(116)107-81(59-69-49-53-75(54-50-69)128-65-73-36-16-6-17-37-73)94(122)105-67(2)90(118)109-83(92(120)103-63-71-32-12-4-13-33-71)61-98(126)77-39-22-24-41-79(77)111-96(98)124/h3-6,10-17,21-24,30-41,47-54,66-67,80-83,125-126H,7-9,18-20,25-29,42-46,55-65H2,1-2H3,(H,99,112)(H,100,113)(H,101,114)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,115)(H,107,116)(H,108,117)(H,109,118)(H,110,123)(H,111,124)/t66-,67-,80-,81-,82-,83-,97+,98+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430969 (CHEMBL2337846) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C116H150N16O20/c1-81(107(141)129-97(109(143)123-77-85-39-13-3-14-40-85)75-115(149)91-47-27-29-49-93(91)131-113(115)147)125-111(145)95(73-83-59-63-89(64-60-83)151-79-87-43-17-5-18-44-87)127-105(139)57-25-11-37-71-119-101(135)53-21-7-33-67-117-99(133)51-23-9-35-69-121-103(137)55-31-32-56-104(138)122-70-36-10-24-52-100(134)118-68-34-8-22-54-102(136)120-72-38-12-26-58-106(140)128-96(74-84-61-65-90(66-62-84)152-80-88-45-19-6-20-46-88)112(146)126-82(2)108(142)130-98(110(144)124-78-86-41-15-4-16-42-86)76-116(150)92-48-28-30-50-94(92)132-114(116)148/h3-6,13-20,27-30,39-50,59-66,81-82,95-98,149-150H,7-12,21-26,31-38,51-58,67-80H2,1-2H3,(H,117,133)(H,118,134)(H,119,135)(H,120,136)(H,121,137)(H,122,138)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,127,139)(H,128,140)(H,129,141)(H,130,142)(H,131,147)(H,132,148)/t81-,82-,95-,96-,97-,98-,115+,116+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430961 (CHEMBL2337844) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C104H128N14O18/c1-71(95(125)115-87(97(127)109-67-75-33-11-3-12-34-75)65-103(133)81-41-23-25-43-83(81)117-101(103)131)111-99(129)85(63-73-51-55-79(56-52-73)135-69-77-37-15-5-16-38-77)113-93(123)49-22-10-32-62-107-91(121)47-20-8-30-60-105-89(119)45-19-7-29-59-106-90(120)46-21-9-31-61-108-92(122)48-27-28-50-94(124)114-86(64-74-53-57-80(58-54-74)136-70-78-39-17-6-18-40-78)100(130)112-72(2)96(126)116-88(98(128)110-68-76-35-13-4-14-36-76)66-104(134)82-42-24-26-44-84(82)118-102(104)132/h3-6,11-18,23-26,33-44,51-58,71-72,85-88,133-134H,7-10,19-22,27-32,45-50,59-70H2,1-2H3,(H,105,119)(H,106,120)(H,107,121)(H,108,122)(H,109,127)(H,110,128)(H,111,129)(H,112,130)(H,113,123)(H,114,124)(H,115,125)(H,116,126)(H,117,131)(H,118,132)/t71-,72-,85-,86-,87-,88-,103+,104+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430970 (CHEMBL2337845) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C110H139N15O19/c1-76(101(133)122-92(103(135)116-72-80-36-12-3-13-37-80)70-109(141)86-44-25-27-46-88(86)124-107(109)139)118-105(137)90(68-78-55-59-84(60-56-78)143-74-82-40-16-5-17-41-82)120-99(131)53-24-11-35-67-114-97(129)51-22-9-33-65-112-95(127)49-20-7-31-63-111-94(126)48-21-8-32-64-113-96(128)50-23-10-34-66-115-98(130)52-29-30-54-100(132)121-91(69-79-57-61-85(62-58-79)144-75-83-42-18-6-19-43-83)106(138)119-77(2)102(134)123-93(104(136)117-73-81-38-14-4-15-39-81)71-110(142)87-45-26-28-47-89(87)125-108(110)140/h3-6,12-19,25-28,36-47,55-62,76-77,90-93,141-142H,7-11,20-24,29-35,48-54,63-75H2,1-2H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,130)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,131)(H,121,132)(H,122,133)(H,123,134)(H,124,139)(H,125,140)/t76-,77-,90-,91-,92-,93-,109+,110+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as ...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485783 (CHEMBL2164408) Show SMILES CC(C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2c1)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C48H76N8O12/c1-27(2)37(41(59)53-55-43(61)39(29(5)6)51-45(63)67-47(9,10)11)49-35(57)17-15-23-65-33-21-19-31-20-22-34(26-32(31)25-33)66-24-16-18-36(58)50-38(28(3)4)42(60)54-56-44(62)40(30(7)8)52-46(64)68-48(12,13)14/h19-22,25-30,37-40H,15-18,23-24H2,1-14H3,(H,49,57)(H,50,58)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t37-,38-,39-,40-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430963 (CHEMBL2337842) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C66H91N9O12/c1-47(60(80)74-55(61(81)71-45-49-25-11-5-12-26-49)44-66(85)52-29-19-20-30-53(52)75-63(66)83)72-62(82)54(43-48-35-37-51(38-36-48)86-46-50-27-13-6-14-28-50)73-59(79)34-18-10-23-41-69-57(77)32-16-8-21-39-67-56(76)31-15-7-22-40-68-58(78)33-17-9-24-42-70-64(84)87-65(2,3)4/h5-6,11-14,19-20,25-30,35-38,47,54-55,85H,7-10,15-18,21-24,31-34,39-46H2,1-4H3,(H,67,76)(H,68,78)(H,69,77)(H,70,84)(H,71,81)(H,72,82)(H,73,79)(H,74,80)(H,75,83)/t47-,54-,55-,66+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156909 (CHEMBL376817 | methyl (2S)-3-carbamoyl-2-[(2S)-2-[...) Show SMILES COC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2n1)[C@@H](C)O |r| Show InChI InChI=1S/C49H76N8O14/c1-26(2)22-34(44(62)54-36(25-37(50)59)48(66)68-10)53-47(65)43(30(9)58)56-39(61)15-13-21-71-40-19-17-31-16-18-32(24-33(31)51-40)70-20-12-14-38(60)55-41(28(5)6)46(64)52-35(23-27(3)4)45(63)57-42(29(7)8)49(67)69-11/h16-19,24,26-30,34-36,41-43,58H,12-15,20-23,25H2,1-11H3,(H2,50,59)(H,52,64)(H,53,65)(H,54,62)(H,55,60)(H,56,61)(H,57,63)/t30-,34+,35+,36+,41+,42+,43+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485784 (CHEMBL2164407) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C50H79N7O12/c1-28(2)25-37(44(60)54-43(32(9)10)48(64)66-14)51-45(61)40(29(3)4)52-38(58)17-15-23-67-35-21-19-33-20-22-36(27-34(33)26-35)68-24-16-18-39(59)53-41(30(5)6)46(62)56-57-47(63)42(31(7)8)55-49(65)69-50(11,12)13/h19-22,26-32,37,40-43H,15-18,23-25H2,1-14H3,(H,51,61)(H,52,58)(H,53,59)(H,54,60)(H,55,65)(H,56,62)(H,57,63)/t37-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease 150V mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430964 (CHEMBL2337841) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C60H80N8O11/c1-42(54(72)67-50(55(73)64-40-44-22-10-5-11-23-44)39-60(77)47-26-17-18-27-48(47)68-57(60)75)65-56(74)49(38-43-31-33-46(34-32-43)78-41-45-24-12-6-13-25-45)66-53(71)30-16-9-20-36-62-51(69)28-14-7-19-35-61-52(70)29-15-8-21-37-63-58(76)79-59(2,3)4/h5-6,10-13,17-18,22-27,31-34,42,49-50,77H,7-9,14-16,19-21,28-30,35-41H2,1-4H3,(H,61,70)(H,62,69)(H,63,76)(H,64,73)(H,65,74)(H,66,71)(H,67,72)(H,68,75)/t42-,49-,50-,60+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156906 (CHEMBL375050 | methyl (2S)-2-[(2S)-2-[(2S)-2-(4-{[...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)nc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C51H81N7O12/c1-28(2)25-37(46(61)57-44(32(9)10)50(65)67-13)53-48(63)42(30(5)6)55-39(59)17-15-23-69-35-21-19-34-20-22-41(52-36(34)27-35)70-24-16-18-40(60)56-43(31(7)8)49(64)54-38(26-29(3)4)47(62)58-45(33(11)12)51(66)68-14/h19-22,27-33,37-38,42-45H,15-18,23-26H2,1-14H3,(H,53,63)(H,54,64)(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t37-,38-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485785 (CHEMBL2164409) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NNC(=O)NNC(=O)N[C@@H](C(C)C)C(N)=O)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C42H65N9O11/c1-23(2)20-31(38(55)46-36(26(7)8)40(57)60-9)44-39(56)35(25(5)6)45-32(52)12-10-18-61-29-16-14-27-15-17-30(22-28(27)21-29)62-19-11-13-33(53)48-50-42(59)51-49-41(58)47-34(24(3)4)37(43)54/h14-17,21-26,31,34-36H,10-13,18-20H2,1-9H3,(H2,43,54)(H,44,56)(H,45,52)(H,46,55)(H,48,53)(H2,47,49,58)(H2,50,51,59)/t31-,34-,35-,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430963 (CHEMBL2337842) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C66H91N9O12/c1-47(60(80)74-55(61(81)71-45-49-25-11-5-12-26-49)44-66(85)52-29-19-20-30-53(52)75-63(66)83)72-62(82)54(43-48-35-37-51(38-36-48)86-46-50-27-13-6-14-28-50)73-59(79)34-18-10-23-41-69-57(77)32-16-8-21-39-67-56(76)31-15-7-22-40-68-58(78)33-17-9-24-42-70-64(84)87-65(2,3)4/h5-6,11-14,19-20,25-30,35-38,47,54-55,85H,7-10,15-18,21-24,31-34,39-46H2,1-4H3,(H,67,76)(H,68,78)(H,69,77)(H,70,84)(H,71,81)(H,72,82)(H,73,79)(H,74,80)(H,75,83)/t47-,54-,55-,66+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191464 (CHEMBL212749 | methyl (2S)-2-[(2S)-2-[(2S)-2-(4-{[...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)NNC(=O)c3cc(NC(C)=O)ccc3OC)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C50H71N7O12/c1-28(2)24-39(47(62)55-45(31(7)8)50(65)67-11)52-48(63)43(29(3)4)53-41(59)14-12-22-68-36-19-16-33-17-20-37(26-34(33)25-36)69-23-13-15-42(60)54-44(30(5)6)49(64)57-56-46(61)38-27-35(51-32(9)58)18-21-40(38)66-10/h16-21,25-31,39,43-45H,12-15,22-24H2,1-11H3,(H,51,58)(H,52,63)(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,64)/t39-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease dimerization				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease ANAM-11 mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156901 ((S)-tert-butyl 5-((S)-1-amino-4-methyl-1-oxopentan...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C59H87N7O14/c1-34(2)29-45(53(60)71)63-54(72)44(25-26-50(70)80-59(9,10)11)62-55(73)47(31-38-17-21-41(67)22-18-38)61-48(68)15-13-27-78-42-23-19-39-20-24-43(33-40(39)32-42)79-28-14-16-49(69)65-51(36(5)6)57(75)64-46(30-35(3)4)56(74)66-52(37(7)8)58(76)77-12/h17-24,32-37,44-47,51-52,67H,13-16,25-31H2,1-12H3,(H2,60,71)(H,61,68)(H,62,73)(H,63,72)(H,64,75)(H,65,69)(H,66,74)/t44-,45-,46-,47-,51-,52-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease V82A mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156902 ((S)-methyl 2-((S)-2-((S)-2-(4-(2-(4-((2S,3S)-1-((2...) Show SMILES CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2n1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C44H69N7O11/c1-11-27(8)38(43(58)51-39(28(9)52)40(45)55)49-34(54)15-13-21-62-35-19-17-29-16-18-30(23-31(29)46-35)61-20-12-14-33(53)48-36(25(4)5)42(57)47-32(22-24(2)3)41(56)50-37(26(6)7)44(59)60-10/h16-19,23-28,32,36-39,52H,11-15,20-22H2,1-10H3,(H2,45,55)(H,47,57)(H,48,53)(H,49,54)(H,50,56)(H,51,58)/t27-,28+,32-,36-,37-,38-,39-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50051763 (2-iodophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-...) Show SMILES ClCc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1I Show InChI InChI=1S/C17H10ClIO4/c18-9-10-5-6-14-11(7-10)8-12(16(20)22-14)17(21)23-15-4-2-1-3-13(15)19/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin				J Med Chem 39: 2579-85 (1996) Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430964 (CHEMBL2337841) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C60H80N8O11/c1-42(54(72)67-50(55(73)64-40-44-22-10-5-11-23-44)39-60(77)47-26-17-18-27-48(47)68-57(60)75)65-56(74)49(38-43-31-33-46(34-32-43)78-41-45-24-12-6-13-25-45)66-53(71)30-16-9-20-36-62-51(69)28-14-7-19-35-61-52(70)29-15-8-21-37-63-58(76)79-59(2,3)4/h5-6,10-13,17-18,22-27,31-34,42,49-50,77H,7-9,14-16,19-21,28-30,35-41H2,1-4H3,(H,61,70)(H,62,69)(H,63,76)(H,64,73)(H,65,74)(H,66,71)(H,67,72)(H,68,75)/t42-,49-,50-,60+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM23563 (3-Carboxylate-coumarin deriv., 3 | CHEMBL13357 | p...) Show SMILES ClCc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1 Show InChI InChI=1S/C17H11ClO4/c18-10-11-6-7-15-12(8-11)9-14(17(20)22-15)16(19)21-13-4-2-1-3-5-13/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin				J Med Chem 39: 2579-85 (1996) Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50051762 (6-Chloromethyl-2-oxo-2H-chromene-3-carboxylic acid...) Show SMILES Cc1ccccc1OC(=O)c1cc2cc(CCl)ccc2oc1=O Show InChI InChI=1S/C18H13ClO4/c1-11-4-2-3-5-15(11)22-17(20)14-9-13-8-12(10-19)6-7-16(13)23-18(14)21/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin				J Med Chem 39: 2579-85 (1996) Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease dimerization				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50135844 ((2S,8S)-2-[({[({[(1S)-1-{[(1S,2R)-2-(benzyloxy)-1-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)SC[C@@H]1CCN2CC[C@@H](CSCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)OCc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)OCc3ccccc3)NC2=[NH+]1 |c:108,t:14| Show InChI InChI=1S/C80H116N10O10S2/c1-50(2)20-19-21-52(5)63-30-31-64-62-29-28-58-42-61(32-36-79(58,8)65(62)33-37-80(63,64)9)102-48-60-35-39-90-38-34-59(84-78(90)85-60)47-101-49-71(93)82-44-70(92)83-53(6)73(94)89-72(54(7)99-45-56-24-15-11-16-25-56)76(97)87-66(40-51(3)4)74(95)86-67(43-69(81)91)75(96)88-68(41-55-22-13-10-14-23-55)77(98)100-46-57-26-17-12-18-27-57/h10-18,22-28,50-54,59-68,72H,19-21,29-49H2,1-9H3,(H2,81,91)(H,82,93)(H,83,92)(H,84,85)(H,86,95)(H,87,97)(H,88,96)(H,89,94)/p+1/t52-,53+,54-,59+,60+,61-,62?,63-,64?,65?,66+,67+,68+,72+,79+,80-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma de Madrid Curated by ChEMBL					Assay Description Competitive inhibition against HIV-1 Protease				J Med Chem 46: 5196-207 (2003) Article DOI: 10.1021/jm030871u BindingDB Entry DOI: 10.7270/Q2C53MKZ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156903 ((S)-methyl 2-((2S,3R)-3-hydroxy-2-((2S,3S)-2-(4-(7...) Show SMILES CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2n1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r| Show InChI InChI=1S/C51H81N7O13/c1-14-32(10)44(48(64)58-45(33(11)59)49(65)54-38(26-29(4)5)50(66)68-12)56-40(61)18-16-24-71-41-22-20-34-19-21-35(27-36(34)52-41)70-23-15-17-39(60)55-42(30(6)7)47(63)53-37(25-28(2)3)46(62)57-43(31(8)9)51(67)69-13/h19-22,27-33,37-38,42-45,59H,14-18,23-26H2,1-13H3,(H,53,63)(H,54,65)(H,55,60)(H,56,61)(H,57,62)(H,58,64)/t32-,33+,37-,38-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156910 ((S)-tert-butyl 5-((S)-1-amino-4-methyl-1-oxopentan...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C58H86N8O14/c1-33(2)29-43(52(59)71)63-53(72)41(24-26-49(70)80-58(9,10)11)62-54(73)45(31-37-17-21-39(67)22-18-37)60-46(68)15-14-28-79-48-25-20-38-19-23-40(32-42(38)61-48)78-27-13-16-47(69)65-50(35(5)6)56(75)64-44(30-34(3)4)55(74)66-51(36(7)8)57(76)77-12/h17-23,25,32-36,41,43-45,50-51,67H,13-16,24,26-31H2,1-12H3,(H2,59,71)(H,60,68)(H,62,73)(H,63,72)(H,64,75)(H,65,69)(H,66,74)/t41-,43-,44-,45-,50-,51-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156908 ((S)-tert-butyl 5-((S)-1-amino-4-methyl-1-oxopentan...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C50H78N6O12/c1-29(2)25-38(45(51)60)53-46(61)37(21-22-42(59)68-50(9,10)11)52-40(57)15-13-23-66-35-19-17-33-18-20-36(28-34(33)27-35)67-24-14-16-41(58)55-43(31(5)6)48(63)54-39(26-30(3)4)47(62)56-44(32(7)8)49(64)65-12/h17-20,27-32,37-39,43-44H,13-16,21-26H2,1-12H3,(H2,51,60)(H,52,57)(H,53,61)(H,54,63)(H,55,58)(H,56,62)/t37-,38-,39-,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease D30N mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease G48V/L90M mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156904 ((S)-tert-butyl 5-((S)-1-amino-4-methyl-1-oxopentan...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C49H77N7O12/c1-28(2)25-36(44(50)60)53-45(61)34(20-22-41(59)68-49(9,10)11)51-38(57)15-14-24-67-40-21-18-32-17-19-33(27-35(32)52-40)66-23-13-16-39(58)55-42(30(5)6)47(63)54-37(26-29(3)4)46(62)56-43(31(7)8)48(64)65-12/h17-19,21,27-31,34,36-37,42-43H,13-16,20,22-26H2,1-12H3,(H2,50,60)(H,51,57)(H,53,61)(H,54,63)(H,55,58)(H,56,62)/t34-,36-,37-,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50074687 (2-[2-(2-{4-[7-(3-{1-[1-(1-Methoxycarbonyl-2-methyl...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C52H82N6O12/c1-29(2)25-39(47(61)57-45(33(9)10)51(65)67-13)53-49(63)43(31(5)6)55-41(59)17-15-23-69-37-21-19-35-20-22-38(28-36(35)27-37)70-24-16-18-42(60)56-44(32(7)8)50(64)54-40(26-30(3)4)48(62)58-46(34(11)12)52(66)68-14/h19-22,27-34,39-40,43-46H,15-18,23-26H2,1-14H3,(H,53,63)(H,54,64)(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t39-,40-,43-,44-,45-,46-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074687 (2-[2-(2-{4-[7-(3-{1-[1-(1-Methoxycarbonyl-2-methyl...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C52H82N6O12/c1-29(2)25-39(47(61)57-45(33(9)10)51(65)67-13)53-49(63)43(31(5)6)55-41(59)17-15-23-69-37-21-19-35-20-22-38(28-36(35)27-37)70-24-16-18-42(60)56-44(32(7)8)50(64)54-40(26-30(3)4)48(62)58-46(34(11)12)52(66)68-14/h19-22,27-34,39-40,43-46H,15-18,23-26H2,1-14H3,(H,53,63)(H,54,64)(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t39-,40-,43-,44-,45-,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485786 (CHEMBL2164074) Show SMILES CC(C)[C@H](NC(=O)NNC(=O)NNC(=O)CCCOc1ccc2ccc(OCCCC(=O)NNC(=O)NNC(=O)N[C@@H](C(C)C)C(N)=O)cc2c1)C(N)=O |r| Show InChI InChI=1S/C32H48N12O10/c1-17(2)25(27(33)47)35-29(49)39-43-31(51)41-37-23(45)7-5-13-53-21-11-9-19-10-12-22(16-20(19)15-21)54-14-6-8-24(46)38-42-32(52)44-40-30(50)36-26(18(3)4)28(34)48/h9-12,15-18,25-26H,5-8,13-14H2,1-4H3,(H2,33,47)(H2,34,48)(H,37,45)(H,38,46)(H2,35,39,49)(H2,36,40,50)(H2,41,43,51)(H2,42,44,52)/t25-,26-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50051761 (2-chlorophenyl 6-(chloromethyl)-2-oxo-2H-chromene-...) Show SMILES ClCc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1Cl Show InChI InChI=1S/C17H10Cl2O4/c18-9-10-5-6-14-11(7-10)8-12(16(20)22-14)17(21)23-15-4-2-1-3-13(15)19/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin				J Med Chem 39: 2579-85 (1996) Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156911 ((S)-5-((S)-1-amino-4-methyl-1-oxopentan-2-ylamino)...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C46H70N6O12/c1-26(2)22-35(42(47)57)49-43(58)34(18-19-39(55)56)48-37(53)12-10-20-63-32-16-14-30-15-17-33(25-31(30)24-32)64-21-11-13-38(54)51-40(28(5)6)45(60)50-36(23-27(3)4)44(59)52-41(29(7)8)46(61)62-9/h14-17,24-29,34-36,40-41H,10-13,18-23H2,1-9H3,(H2,47,57)(H,48,53)(H,49,58)(H,50,60)(H,51,54)(H,52,59)(H,55,56)/t34-,35-,36-,40-,41-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156905 ((S)-methyl 2-((2S,3R)-3-hydroxy-2-(4-(7-(4-((S)-1-...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)[C@@H](C)O |r| Show InChI InChI=1S/C46H71N5O12/c1-26(2)22-35(42(55)51-40(29(7)8)46(59)61-11)47-43(56)39(28(5)6)49-37(53)14-12-20-62-33-18-16-31-17-19-34(25-32(31)24-33)63-21-13-15-38(54)50-41(30(9)52)44(57)48-36(23-27(3)4)45(58)60-10/h16-19,24-30,35-36,39-41,52H,12-15,20-23H2,1-11H3,(H,47,56)(H,48,57)(H,49,53)(H,50,54)(H,51,55)/t30-,35+,36+,39+,40+,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156914 ((S)-methyl 2-((S)-2-((S)-2-(4-(7-(4-((2S,3S)-1-((2...) Show SMILES CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C45H70N6O11/c1-11-28(8)39(44(58)51-40(29(9)52)41(46)55)49-36(54)15-13-21-62-33-19-17-30-16-18-32(23-31(30)24-33)61-20-12-14-35(53)48-37(26(4)5)43(57)47-34(22-25(2)3)42(56)50-38(27(6)7)45(59)60-10/h16-19,23-29,34,37-40,52H,11-15,20-22H2,1-10H3,(H2,46,55)(H,47,57)(H,48,53)(H,49,54)(H,50,56)(H,51,58)/t28-,29+,34-,37-,38-,39-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156913 ((S)-methyl 2-((2S,3R)-3-hydroxy-2-(4-(7-(4-((S)-1-...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2n1)[C@@H](C)O |r| Show InChI InChI=1S/C45H70N6O12/c1-25(2)22-33(41(55)51-39(28(7)8)45(59)61-11)47-42(56)38(27(5)6)49-35(53)14-12-20-62-31-18-16-30-17-19-37(46-32(30)24-31)63-21-13-15-36(54)50-40(29(9)52)43(57)48-34(23-26(3)4)44(58)60-10/h16-19,24-29,33-34,38-40,52H,12-15,20-23H2,1-11H3,(H,47,56)(H,48,57)(H,49,53)(H,50,54)(H,51,55)/t29-,33+,34+,38+,39+,40+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156912 (CHEMBL376602 | methyl (2S)-2-[(2S,3R)-2-[(2S,3R)-3...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)nc2c1)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C49H77N7O14/c1-13-28(7)40(44(61)53-38(26(3)4)48(65)67-11)55-46(63)42(30(9)57)51-35(59)17-15-23-69-33-21-19-32-20-22-37(50-34(32)25-33)70-24-16-18-36(60)52-43(31(10)58)47(64)56-41(29(8)14-2)45(62)54-39(27(5)6)49(66)68-12/h19-22,25-31,38-43,57-58H,13-18,23-24H2,1-12H3,(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,63)(H,56,64)/t28-,29-,30-,31-,38+,39+,40+,41+,42+,43+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156907 ((S)-methyl 2-((S)-2-((S)-2-(4-(7-(4-((S)-5-amino-1...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C50H78N8O13/c1-11-30(8)43(49(67)58-44(31(9)59)45(52)63)57-46(64)36(20-21-38(51)60)53-39(61)14-12-22-70-34-18-16-32-17-19-35(26-33(32)25-34)71-23-13-15-40(62)55-41(28(4)5)48(66)54-37(24-27(2)3)47(65)56-42(29(6)7)50(68)69-10/h16-19,25-31,36-37,41-44,59H,11-15,20-24H2,1-10H3,(H2,51,60)(H2,52,63)(H,53,61)(H,54,66)(H,55,62)(H,56,65)(H,57,64)(H,58,67)/t30-,31+,36-,37-,41-,42-,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430966 (CHEMBL2337849) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C42H47N5O8/c1-27(36(48)45-35(37(49)43-25-29-13-7-5-8-14-29)24-42(53)32-17-11-12-18-33(32)46-39(42)51)44-38(50)34(47-40(52)55-41(2,3)4)23-28-19-21-31(22-20-28)54-26-30-15-9-6-10-16-30/h5-22,27,34-35,53H,23-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,46,51)(H,47,52)/t27-,34-,35-,42+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156902 ((S)-methyl 2-((S)-2-((S)-2-(4-(2-(4-((2S,3S)-1-((2...) Show SMILES CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2n1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C44H69N7O11/c1-11-27(8)38(43(58)51-39(28(9)52)40(45)55)49-34(54)15-13-21-62-35-19-17-29-16-18-30(23-31(29)46-35)61-20-12-14-33(53)48-36(25(4)5)42(57)47-32(22-24(2)3)41(56)50-37(26(6)7)44(59)60-10/h16-19,23-28,32,36-39,52H,11-15,20-22H2,1-10H3,(H2,45,55)(H,47,57)(H,48,53)(H,49,54)(H,50,56)(H,51,58)/t27-,28+,32-,36-,37-,38-,39-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM32709 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...) Show SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1 Show InChI InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by double-reciprocal plot analysis				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease MDR-HM mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Saccharomyces cerevisiae)	BDBM50185622 (Apam-YET | CHEMBL210325) Show SMILES CCCCCCCCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C34H56N4O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26(35)31(43)37-28(22-24-16-18-25(40)19-17-24)33(45)36-27(20-21-29(41)42)32(44)38-30(23(2)39)34(46)47/h16-19,23,26-28,30,39-40H,3-15,20-22,35H2,1-2H3,(H,36,45)(H,37,43)(H,38,44)(H,41,42)(H,46,47)/t23-,26?,27+,28+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Université Paris VI Curated by ChEMBL					Assay Description Inhibition of chymotrypsin like activity of yeast 20S proteasome				Bioorg Med Chem Lett 16: 3277-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.033 BindingDB Entry DOI: 10.7270/Q280527Z
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50430966 (CHEMBL2337849) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C42H47N5O8/c1-27(36(48)45-35(37(49)43-25-29-13-7-5-8-14-29)24-42(53)32-17-11-12-18-33(32)46-39(42)51)44-38(50)34(47-40(52)55-41(2,3)4)23-28-19-21-31(22-20-28)54-26-30-15-9-6-10-16-30/h5-22,27,34-35,53H,23-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,46,51)(H,47,52)/t27-,34-,35-,42+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Paris 6 Curated by ChEMBL					Assay Description Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as i...				J Med Chem 56: 3367-78 (2013) Article DOI: 10.1021/jm4002007 BindingDB Entry DOI: 10.7270/Q2F19135
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50135845 (Bicyclic Guanidinium Subunit | CHEMBL266754) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCCCC(=O)OC[C@@H]1CCN2CC[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)[C@@H](C)O |c:77| Show InChI InChI=1S/C58H83N9O12Si/c1-37(2)32-45(53(73)63-46(34-48(59)69)54(74)65-47(56(76)77-8)33-40-20-12-9-13-21-40)64-55(75)51(39(4)68)66-52(72)38(3)60-49(70)26-18-19-27-50(71)78-35-41-28-30-67-31-29-42(62-57(67)61-41)36-79-80(58(5,6)7,43-22-14-10-15-23-43)44-24-16-11-17-25-44/h9-17,20-25,37-39,41-42,45-47,51,68H,18-19,26-36H2,1-8H3,(H2,59,69)(H,60,70)(H,61,62)(H,63,73)(H,64,75)(H,65,74)(H,66,72)/p+1/t38-,39+,41-,42-,45-,46-,47-,51-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma de Madrid Curated by ChEMBL					Assay Description Competitive inhibition against HIV-1 Protease				J Med Chem 46: 5196-207 (2003) Article DOI: 10.1021/jm030871u BindingDB Entry DOI: 10.7270/Q2C53MKZ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50135842 (Bicyclic Guanidinium Subunit | CHEMBL386994) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)CSCC1CCN2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |c:43| Show InChI InChI=1S/C58H84N10O12SSi/c1-9-37(4)51(55(77)66-47(32-69)54(76)63-44(29-38-20-22-41(70)23-21-38)52(74)64-45(30-48(59)71)53(75)65-46(28-36(2)3)56(78)79-8)67-49(72)31-60-50(73)35-81-34-40-25-27-68-26-24-39(61-57(68)62-40)33-80-82(58(5,6)7,42-16-12-10-13-17-42)43-18-14-11-15-19-43/h10-23,36-37,39-40,44-47,51,69-70H,9,24-35H2,1-8H3,(H2,59,71)(H,60,73)(H,61,62)(H,63,76)(H,64,74)(H,65,75)(H,66,77)(H,67,72)/p+1/t37-,39?,40?,44-,45-,46-,47-,51-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma de Madrid Curated by ChEMBL					Assay Description Competitive inhibition against HIV-1 Protease				J Med Chem 46: 5196-207 (2003) Article DOI: 10.1021/jm030871u BindingDB Entry DOI: 10.7270/Q2C53MKZ
					More data for this Ligand-Target Pair

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