Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'liskamp' and Initial = 'rm'   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM218837 (TBMB-PK15 (10)) Show SMILES CSCc1cc(CSC)cc(CSC)c1 Show InChI InChI=1S/C12H18S3/c1-13-7-10-4-11(8-14-2)6-12(5-10)9-15-3/h4-6H,7-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Glasgow					Assay Description The inhibition of plasma kallikrein and coagulation factor FXII was assessed by incubating the proteases with bicyclic peptide (twofold dilutions) an...				Chembiochem 18: 387-395 (2017) Article DOI: 10.1002/cbic.201600612 BindingDB Entry DOI: 10.7270/Q2H9942B
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM218839 (TBMT-FX618 (16) | TBMT-PK15 (12)) Show SMILES CSCc1nc(CSC)nc(CSC)n1 Show InChI InChI=1S/C9H15N3S3/c1-13-4-7-10-8(5-14-2)12-9(11-7)6-15-3/h4-6H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Glasgow					Assay Description The inhibition of plasma kallikrein and coagulation factor FXII was assessed by incubating the proteases with bicyclic peptide (twofold dilutions) an...				Chembiochem 18: 387-395 (2017) Article DOI: 10.1002/cbic.201600612 BindingDB Entry DOI: 10.7270/Q2H9942B
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM218840 (TATA-FXII618 (14)) Show SMILES CSCCC(=O)N1CN(CN(C1)C(=O)CCSC)C(=O)CCSC Show InChI InChI=1S/C15H27N3O3S3/c1-22-7-4-13(19)16-10-17(14(20)5-8-23-2)12-18(11-16)15(21)6-9-24-3/h4-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Glasgow					Assay Description The inhibition of plasma kallikrein and coagulation factor FXII was assessed by incubating the proteases with bicyclic peptide (twofold dilutions) an...				Chembiochem 18: 387-395 (2017) Article DOI: 10.1002/cbic.201600612 BindingDB Entry DOI: 10.7270/Q2H9942B
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM218838 (TATB-FXII618 (15) | TATB-PK15 (11)) Show SMILES CSCC(=O)N1CN(CN(C1)C(=O)CSC)C(=O)CSC Show InChI InChI=1S/C12H21N3O3S3/c1-19-4-10(16)13-7-14(11(17)5-20-2)9-15(8-13)12(18)6-21-3/h4-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Glasgow					Assay Description The inhibition of plasma kallikrein and coagulation factor FXII was assessed by incubating the proteases with bicyclic peptide (twofold dilutions) an...				Chembiochem 18: 387-395 (2017) Article DOI: 10.1002/cbic.201600612 BindingDB Entry DOI: 10.7270/Q2H9942B
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM218838 (TATB-FXII618 (15) | TATB-PK15 (11)) Show SMILES CSCC(=O)N1CN(CN(C1)C(=O)CSC)C(=O)CSC Show InChI InChI=1S/C12H21N3O3S3/c1-19-4-10(16)13-7-14(11(17)5-20-2)9-15(8-13)12(18)6-21-3/h4-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Glasgow					Assay Description The inhibition of plasma kallikrein and coagulation factor FXII was assessed by incubating the proteases with bicyclic peptide (twofold dilutions) an...				Chembiochem 18: 387-395 (2017) Article DOI: 10.1002/cbic.201600612 BindingDB Entry DOI: 10.7270/Q2H9942B
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM218839 (TBMT-FX618 (16) | TBMT-PK15 (12)) Show SMILES CSCc1nc(CSC)nc(CSC)n1 Show InChI InChI=1S/C9H15N3S3/c1-13-4-7-10-8(5-14-2)12-9(11-7)6-15-3/h4-6H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Glasgow					Assay Description The inhibition of plasma kallikrein and coagulation factor FXII was assessed by incubating the proteases with bicyclic peptide (twofold dilutions) an...				Chembiochem 18: 387-395 (2017) Article DOI: 10.1002/cbic.201600612 BindingDB Entry DOI: 10.7270/Q2H9942B
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (RAT)	BDBM50318385 (2-(4-{[(2-{[(3-{[1-(5-{[(1R)-1-{[(4R,7S,10S,13R,16...) Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r| Show InChI InChI=1S/C83H115N19O23S3/c1-52(104)67(48-103)91-82(121)69-51-127-126-50-68(81(120)89-65(39-55-22-24-59(106)25-23-55)79(118)90-66(41-57-42-86-62-19-9-8-18-61(57)62)80(119)88-63(20-10-11-26-84)77(116)94-75(53(2)105)83(122)93-69)92-78(117)64(38-54-14-5-3-6-15-54)87-70(107)21-7-4-12-28-102-43-58(95-97-102)49-125-60-17-13-16-56(40-60)76(115)96-128(123,124)37-27-85-71(108)44-98-29-31-99(45-72(109)110)33-35-101(47-74(113)114)36-34-100(32-30-98)46-73(111)112/h3,5-6,8-9,13-19,22-25,40,42-43,52-53,63-69,75,86,103-106H,4,7,10-12,20-21,26-39,41,44-51,84H2,1-2H3,(H,85,108)(H,87,107)(H,88,119)(H,89,120)(H,90,118)(H,91,121)(H,92,117)(H,93,122)(H,94,116)(H,96,115)(H,109,110)(H,111,112)(H,113,114)/t52-,53-,63+,64-,65+,66-,67-,68+,69+,75+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells				J Med Chem 53: 3944-53 (2010) Article DOI: 10.1021/jm100246m BindingDB Entry DOI: 10.7270/Q2PG1RX7
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (RAT)	BDBM50318388 ((4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2R,3...) Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(CO)nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r| Show InChI InChI=1S/C58H79N13O13S2/c1-34(74)47(31-73)65-57(83)49-33-86-85-32-48(66-53(79)44(25-36-13-5-3-6-14-36)61-50(77)18-7-4-12-24-71-29-39(30-72)69-70-71)56(82)63-45(26-37-19-21-40(76)22-20-37)54(80)64-46(27-38-28-60-42-16-9-8-15-41(38)42)55(81)62-43(17-10-11-23-59)52(78)68-51(35(2)75)58(84)67-49/h3,5-6,8-9,13-16,19-22,28-29,34-35,43-49,51,60,72-76H,4,7,10-12,17-18,23-27,30-33,59H2,1-2H3,(H,61,77)(H,62,81)(H,63,82)(H,64,80)(H,65,83)(H,66,79)(H,67,84)(H,68,78)/t34-,35-,43+,44-,45+,46-,47-,48+,49+,51+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells				J Med Chem 53: 3944-53 (2010) Article DOI: 10.1021/jm100246m BindingDB Entry DOI: 10.7270/Q2PG1RX7
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (RAT)	BDBM50318386 (2-[7-({[2-({[3,5-bis({[1-(5-{[(1R)-1-{[(4R,7S,10S,...) Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn4)cc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r| Show InChI InChI=1S/C141H192N32O36S5/c1-84(176)113(76-174)155-138(202)117-82-212-210-80-115(136(200)151-109(61-90-37-41-97(180)42-38-90)132(196)153-111(65-93-68-145-103-31-17-15-29-101(93)103)134(198)149-105(33-19-21-45-142)128(192)161-125(86(3)178)140(204)159-117)157-130(194)107(59-88-25-9-5-10-26-88)147-119(182)35-13-7-23-48-172-70-95(163-166-172)78-208-99-63-92(127(191)165-214(206,207)58-47-144-121(184)72-168-50-52-169(73-122(185)186)54-56-171(75-124(189)190)57-55-170(53-51-168)74-123(187)188)64-100(67-99)209-79-96-71-173(167-164-96)49-24-8-14-36-120(183)148-108(60-89-27-11-6-12-28-89)131(195)158-116-81-211-213-83-118(139(203)156-114(77-175)85(2)177)160-141(205)126(87(4)179)162-129(193)106(34-20-22-46-143)150-135(199)112(66-94-69-146-104-32-18-16-30-102(94)104)154-133(197)110(152-137(116)201)62-91-39-43-98(181)44-40-91/h5-6,9-12,15-18,25-32,37-44,63-64,67-71,84-87,105-118,125-126,145-146,174-181H,7-8,13-14,19-24,33-36,45-62,65-66,72-83,142-143H2,1-4H3,(H,144,184)(H,147,182)(H,148,183)(H,149,198)(H,150,199)(H,151,200)(H,152,201)(H,153,196)(H,154,197)(H,155,202)(H,156,203)(H,157,194)(H,158,195)(H,159,204)(H,160,205)(H,161,192)(H,162,193)(H,165,191)(H,185,186)(H,187,188)(H,189,190)/t84-,85-,86-,87-,105+,106+,107-,108-,109+,110+,111-,112-,113-,114-,115+,116+,117+,118+,125+,126+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells				J Med Chem 53: 3944-53 (2010) Article DOI: 10.1021/jm100246m BindingDB Entry DOI: 10.7270/Q2PG1RX7
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50410236 (CHEMBL365913) Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-32(53-27(2)58)39(61)52-26-38(60)54-33(18-10-11-20-45)41(63)56-35(22-28-13-6-5-7-14-28)43(65)55-34(19-12-21-49-44(47)48)42(64)57-36(40(62)51-25-37(46)59)23-29-24-50-31-17-9-8-15-30(29)31/h5-9,13-15,17,24,32-36,50H,3-4,10-12,16,18-23,25-26,45H2,1-2H3,(H2,46,59)(H,51,62)(H,52,61)(H,53,58)(H,54,60)(H,55,65)(H,56,63)(H,57,64)(H4,47,48,49)/t32-,33-,34-,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50174609 ((LTB4-(Csa)4)2-Glu-H Conjugate | CHEMBL412510) Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CC[C@H](N)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C109H159N23O44S8/c1-108(2,41-19-23-53-175-95-65-79(75-29-9-5-10-30-75)63-82(116-95)77-33-13-7-14-34-77)106-125-127-129-131(106)47-21-17-37-92(133)111-43-25-49-169-55-59-173-61-57-171-51-27-45-113-98(137)84(67-177(145,146)147)119-102(141)88(71-181(157,158)159)123-104(143)90(73-183(163,164)165)121-100(139)86(69-179(151,152)153)115-94(135)40-39-81(110)97(136)118-87(70-180(154,155)156)101(140)122-91(74-184(166,167)168)105(144)124-89(72-182(160,161)162)103(142)120-85(68-178(148,149)150)99(138)114-46-28-52-172-58-62-174-60-56-170-50-26-44-112-93(134)38-18-22-48-132-107(126-128-130-132)109(3,4)42-20-24-54-176-96-66-80(76-31-11-6-12-32-76)64-83(117-96)78-35-15-8-16-36-78/h5-16,29-36,63-66,81,84-91H,17-28,37-62,67-74,110H2,1-4H3,(H,111,133)(H,112,134)(H,113,137)(H,114,138)(H,115,135)(H,118,136)(H,119,141)(H,120,142)(H,121,139)(H,122,140)(H,123,143)(H,124,144)(H,145,146,147)(H,148,149,150)(H,151,152,153)(H,154,155,156)(H,157,158,159)(H,160,161,162)(H,163,164,165)(H,166,167,168)/t81-,84-,85-,86-,87-,88-,89-,90-,91-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Medical Imaging Curated by ChEMBL					Assay Description Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer, for 1 h at 37 degree ...				J Med Chem 48: 6442-53 (2005) Article DOI: 10.1021/jm050383h BindingDB Entry DOI: 10.7270/Q2959H33
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50426994 (CHEMBL2326533) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C33H47N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-16,22-23,27-30H,17-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/b16-15+/t27-,28+,29+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of human 20S constitutive proteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay				J Med Chem 61: 5395-5411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00685 BindingDB Entry DOI: 10.7270/Q29K4DRM
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (RAT)	BDBM50318387 (CHEMBL1099306) Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cc(OCc4cn(CCCCCC(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc6c[nH]c7ccccc67)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn4)cc(c3)C(=O)NCCOc3cc(OCCNC(=O)c4cc(OCc5cn(CCCCCC(=O)N[C@H](Cc6ccccc6)C(=O)N[C@H]6CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](Cc7ccc(O)cc7)NC6=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn5)cc(OCc5cn(CCCCCC(=O)N[C@H](Cc6ccccc6)C(=O)N[C@H]6CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](Cc7ccc(O)cc7)NC6=O)[C@@H](C)O)C(=O)N[C@H](CO)[C@@H](C)O)nn5)c4)cc(c3)C(=O)NS(=O)(=O)CCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r| Show InChI InChI=1S/C275H364N60O66S9/c1-160(340)221(144-336)303-268(386)229-156-406-402-152-225(264(382)295-213(115-172-73-81-187(348)82-74-172)256(374)299-217(125-179-132-283-201-61-33-29-57-197(179)201)260(378)291-205(65-37-41-89-276)248(366)315-241(164(5)344)272(390)311-229)307-252(370)209(111-168-49-17-9-18-50-168)287-233(352)69-25-13-45-96-332-136-183(319-324-332)148-398-193-119-176(120-194(130-193)399-149-184-137-333(325-320-184)97-46-14-26-70-234(353)288-210(112-169-51-19-10-20-52-169)253(371)308-226-153-403-407-157-230(269(387)304-222(145-337)161(2)341)312-273(391)242(165(6)345)316-249(367)206(66-38-42-90-277)292-261(379)218(126-180-133-284-202-62-34-30-58-198(180)202)300-257(375)214(296-265(226)383)116-173-75-83-188(349)84-76-173)245(363)281-93-108-396-191-123-178(247(365)323-410(394,395)110-95-280-237(356)140-328-100-102-329(141-238(357)358)104-106-331(143-240(361)362)107-105-330(103-101-328)142-239(359)360)124-192(129-191)397-109-94-282-246(364)177-121-195(400-150-185-138-334(326-321-185)98-47-15-27-71-235(354)289-211(113-170-53-21-11-22-54-170)254(372)309-227-154-404-408-158-231(270(388)305-223(146-338)162(3)342)313-274(392)243(166(7)346)317-250(368)207(67-39-43-91-278)293-262(380)219(127-181-134-285-203-63-35-31-59-199(181)203)301-258(376)215(297-266(227)384)117-174-77-85-189(350)86-78-174)131-196(122-177)401-151-186-139-335(327-322-186)99-48-16-28-72-236(355)290-212(114-171-55-23-12-24-56-171)255(373)310-228-155-405-409-159-232(271(389)306-224(147-339)163(4)343)314-275(393)244(167(8)347)318-251(369)208(68-40-44-92-279)294-263(381)220(128-182-135-286-204-64-36-32-60-200(182)204)302-259(377)216(298-267(228)385)118-175-79-87-190(351)88-80-175/h9-12,17-24,29-36,49-64,73-88,119-124,129-139,160-167,205-232,241-244,283-286,336-351H,13-16,25-28,37-48,65-72,89-118,125-128,140-159,276-279H2,1-8H3,(H,280,356)(H,281,363)(H,282,364)(H,287,352)(H,288,353)(H,289,354)(H,290,355)(H,291,378)(H,292,379)(H,293,380)(H,294,381)(H,295,382)(H,296,383)(H,297,384)(H,298,385)(H,299,374)(H,300,375)(H,301,376)(H,302,377)(H,303,386)(H,304,387)(H,305,388)(H,306,389)(H,307,370)(H,308,371)(H,309,372)(H,310,373)(H,311,390)(H,312,391)(H,313,392)(H,314,393)(H,315,366)(H,316,367)(H,317,368)(H,318,369)(H,323,365)(H,357,358)(H,359,360)(H,361,362)/t160-,161-,162-,163-,164-,165-,166-,167-,205+,206+,207+,208+,209-,210-,211-,212-,213+,214+,215+,216+,217-,218-,219-,220-,221-,222-,223-,224-,225+,226+,227+,228+,229+,230+,231+,232+,241+,242+,243+,244+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [111In-DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells				J Med Chem 53: 3944-53 (2010) Article DOI: 10.1021/jm100246m BindingDB Entry DOI: 10.7270/Q2PG1RX7
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50410248 (CHEMBL186970) Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C43H63N11O8/c1-3-4-16-33(50-28(2)55)40(59)49-26-39(58)54(21-11-10-19-44)27-38(57)51-35(22-29-13-6-5-7-14-29)43(62)52-34(18-12-20-45)42(61)53-36(41(60)48-25-37(46)56)23-30-24-47-32-17-9-8-15-31(30)32/h5-9,13-15,17,24,33-36,47H,3-4,10-12,16,18-23,25-27,44-45H2,1-2H3,(H2,46,56)(H,48,60)(H,49,59)(H,50,55)(H,51,57)(H,52,62)(H,53,61)/t33-,34-,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50174608 (CHEMBL406432 | HYNIC Conjugate) Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)c1ccc(N=NCc2ccccc2)nc1 |w:95.99| Show InChI InChI=1S/C65H86N14O22S4/c1-65(2,27-13-15-33-101-58-39-50(47-20-8-4-9-21-47)38-51(70-58)48-22-10-5-11-23-48)64-76-77-78-79(64)30-14-12-24-57(80)66-28-16-31-98-34-36-100-37-35-99-32-17-29-67-60(82)52(42-102(86,87)88)72-62(84)54(44-104(92,93)94)74-63(85)55(45-105(95,96)97)73-61(83)53(43-103(89,90)91)71-59(81)49-25-26-56(68-41-49)75-69-40-46-18-6-3-7-19-46/h3-11,18-23,25-26,38-39,41,52-55H,12-17,24,27-37,40,42-45H2,1-2H3,(H,66,80)(H,67,82)(H,71,81)(H,72,84)(H,73,83)(H,74,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)/t52-,53-,54-,55-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Medical Imaging Curated by ChEMBL					Assay Description Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 h at 37 deg...				J Med Chem 48: 6442-53 (2005) Article DOI: 10.1021/jm050383h BindingDB Entry DOI: 10.7270/Q2959H33
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50308672 (CHEMBL590070 | N-(Propylamide-benzophenone)-1-deox...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)c1ccc(cc1)C(=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C26H30N2O7/c1-2-14-35-20-10-8-18(9-11-20)23(31)17-4-6-19(7-5-17)26(34)27-12-3-13-28-15-22(30)25(33)24(32)21(28)16-29/h1,4-11,21-22,24-25,29-30,32-33H,3,12-16H2,(H,27,34)/t21-,22+,24-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of 4-methylumbelliferyl from non-lysosomal GBA2 by fluorometry				Bioorg Med Chem 18: 267-73 (2010) Article DOI: 10.1016/j.bmc.2009.10.060 BindingDB Entry DOI: 10.7270/Q2ZC82ZH
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50174610 (2-[5-Methyl-5-(1H-tetrazol-5-yl)-hexyloxy]-4,6-dip...) Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnn[nH]1 Show InChI InChI=1S/C25H27N5O/c1-25(2,24-27-29-30-28-24)15-9-10-16-31-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Medical Imaging Curated by ChEMBL					Assay Description Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer, for 1 h at 37 degree ...				J Med Chem 48: 6442-53 (2005) Article DOI: 10.1021/jm050383h BindingDB Entry DOI: 10.7270/Q2959H33
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50410249 (CHEMBL373344) Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O Show InChI InChI=1S/C44H65N13O8/c1-3-4-21-57(28(2)58)27-39(61)51-26-38(60)53-33(17-10-11-19-45)41(63)55-35(22-29-13-6-5-7-14-29)43(65)54-34(18-12-20-49-44(47)48)42(64)56-36(40(62)52-25-37(46)59)23-30-24-50-32-16-9-8-15-31(30)32/h5-9,13-16,24,33-36,50H,3-4,10-12,17-23,25-27,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,62)(H,53,60)(H,54,65)(H,55,63)(H,56,64)(H4,47,48,49)/t33-,34-,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Proteasome subunit beta type-10 (Homo sapiens (Human))	BDBM50426994 (CHEMBL2326533) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C33H47N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-16,22-23,27-30H,17-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/b16-15+/t27-,28+,29+,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of human 20S immunoproteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay				J Med Chem 61: 5395-5411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00685 BindingDB Entry DOI: 10.7270/Q29K4DRM
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50174607 (CHEMBL415548 | DTPA Conjugate) Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C123H180N26O53S8/c1-122(2,41-19-23-57-201-105-69-88(84-29-9-5-10-30-84)67-91(130-105)86-33-13-7-14-34-86)120-139-141-143-148(120)47-21-17-37-101(150)124-43-25-53-195-59-63-199-65-61-197-55-27-45-126-111(162)93(76-203(171,172)173)132-115(166)97(80-207(183,184)185)136-118(169)99(82-209(189,190)191)135-114(165)95(78-205(177,178)179)129-103(152)40-39-90(128-104(153)71-146(73-108(156)157)51-49-145(72-107(154)155)50-52-147(74-109(158)159)75-110(160)161)113(164)134-96(79-206(180,181)182)117(168)138-100(83-210(192,193)194)119(170)137-98(81-208(186,187)188)116(167)133-94(77-204(174,175)176)112(163)127-46-28-56-198-62-66-200-64-60-196-54-26-44-125-102(151)38-18-22-48-149-121(140-142-144-149)123(3,4)42-20-24-58-202-106-70-89(85-31-11-6-12-32-85)68-92(131-106)87-35-15-8-16-36-87/h5-16,29-36,67-70,90,93-100H,17-28,37-66,71-83H2,1-4H3,(H,124,150)(H,125,151)(H,126,162)(H,127,163)(H,128,153)(H,129,152)(H,132,166)(H,133,167)(H,134,164)(H,135,165)(H,136,169)(H,137,170)(H,138,168)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)(H,183,184,185)(H,186,187,188)(H,189,190,191)(H,192,193,194)/t90-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Medical Imaging Curated by ChEMBL					Assay Description Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 h at 37 deg...				J Med Chem 48: 6442-53 (2005) Article DOI: 10.1021/jm050383h BindingDB Entry DOI: 10.7270/Q2959H33
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50174606 (CHEMBL384950 | HYNIC Analogue) Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N=NCc2ccccc2S([O-])(=O)=O)nc1 |w:58.61| Show InChI InChI=1S/C53H66N10O9S/c1-53(2,26-12-14-32-72-50-38-45(41-17-5-3-6-18-41)37-46(58-50)42-19-7-4-8-20-42)52-60-61-62-63(52)29-13-11-23-49(64)54-27-15-30-69-33-35-71-36-34-70-31-16-28-55-51(65)44-24-25-48(56-39-44)59-57-40-43-21-9-10-22-47(43)73(66,67)68/h3-10,17-22,24-25,37-39H,11-16,23,26-36,40H2,1-2H3,(H,54,64)(H,55,65)(H,66,67,68)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Medical Imaging Curated by ChEMBL					Assay Description Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 h at 37 deg...				J Med Chem 48: 6442-53 (2005) Article DOI: 10.1021/jm050383h BindingDB Entry DOI: 10.7270/Q2959H33
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50174606 (CHEMBL384950 | HYNIC Analogue) Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N=NCc2ccccc2S([O-])(=O)=O)nc1 |w:58.61| Show InChI InChI=1S/C53H66N10O9S/c1-53(2,26-12-14-32-72-50-38-45(41-17-5-3-6-18-41)37-46(58-50)42-19-7-4-8-20-42)52-60-61-62-63(52)29-13-11-23-49(64)54-27-15-30-69-33-35-71-36-34-70-31-16-28-55-51(65)44-24-25-48(56-39-44)59-57-40-43-21-9-10-22-47(43)73(66,67)68/h3-10,17-22,24-25,37-39H,11-16,23,26-36,40H2,1-2H3,(H,54,64)(H,55,65)(H,66,67,68)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Medical Imaging Curated by ChEMBL					Assay Description Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer upon incubation for 1 ...				J Med Chem 48: 6442-53 (2005) Article DOI: 10.1021/jm050383h BindingDB Entry DOI: 10.7270/Q2959H33
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50174607 (CHEMBL415548 | DTPA Conjugate) Show SMILES CC(C)(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C123H180N26O53S8/c1-122(2,41-19-23-57-201-105-69-88(84-29-9-5-10-30-84)67-91(130-105)86-33-13-7-14-34-86)120-139-141-143-148(120)47-21-17-37-101(150)124-43-25-53-195-59-63-199-65-61-197-55-27-45-126-111(162)93(76-203(171,172)173)132-115(166)97(80-207(183,184)185)136-118(169)99(82-209(189,190)191)135-114(165)95(78-205(177,178)179)129-103(152)40-39-90(128-104(153)71-146(73-108(156)157)51-49-145(72-107(154)155)50-52-147(74-109(158)159)75-110(160)161)113(164)134-96(79-206(180,181)182)117(168)138-100(83-210(192,193)194)119(170)137-98(81-208(186,187)188)116(167)133-94(77-204(174,175)176)112(163)127-46-28-56-198-62-66-200-64-60-196-54-26-44-125-102(151)38-18-22-48-149-121(140-142-144-149)123(3,4)42-20-24-58-202-106-70-89(85-31-11-6-12-32-85)68-92(131-106)87-35-15-8-16-36-87/h5-16,29-36,67-70,90,93-100H,17-28,37-66,71-83H2,1-4H3,(H,124,150)(H,125,151)(H,126,162)(H,127,163)(H,128,153)(H,129,152)(H,132,166)(H,133,167)(H,134,164)(H,135,165)(H,136,169)(H,137,170)(H,138,168)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)(H,183,184,185)(H,186,187,188)(H,189,190,191)(H,192,193,194)/t90-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Medical Imaging Curated by ChEMBL					Assay Description Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer, for 1 h at 37 degree ...				J Med Chem 48: 6442-53 (2005) Article DOI: 10.1021/jm050383h BindingDB Entry DOI: 10.7270/Q2959H33
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50410241 (CHEMBL188459) Show SMILES CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O Show InChI InChI=1S/C44H65N13O8/c1-3-4-20-56(29(2)58)27-38(60)51-26-40(62)57(21-11-10-18-45)28-39(61)53-35(22-30-13-6-5-7-14-30)43(65)54-34(17-12-19-49-44(47)48)42(64)55-36(41(63)52-25-37(46)59)23-31-24-50-33-16-9-8-15-32(31)33/h5-9,13-16,24,34-36,50H,3-4,10-12,17-23,25-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,61)(H,54,65)(H,55,64)(H4,47,48,49)/t34-,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50308673 (CHEMBL589341 | N-(Propylamide-acetophenone)-1-deox...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)CCC(=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C22H30N2O7/c1-2-12-31-16-6-4-15(5-7-16)18(26)8-9-20(28)23-10-3-11-24-13-19(27)22(30)21(29)17(24)14-25/h1,4-7,17,19,21-22,25,27,29-30H,3,8-14H2,(H,23,28)/t17-,19+,21-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of 4-methylumbelliferyl from non-lysosomal GBA2 by fluorometry				Bioorg Med Chem 18: 267-73 (2010) Article DOI: 10.1016/j.bmc.2009.10.060 BindingDB Entry DOI: 10.7270/Q2ZC82ZH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50410252 (CHEMBL190551) Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O Show InChI InChI=1S/C45H67N13O8/c1-3-4-16-35(54-30(2)59)42(64)53-27-39(61)55-36(18-10-11-20-46)43(65)56-37(24-31-13-6-5-7-14-31)44(66)58(22-12-21-50-45(48)49)29-41(63)57(28-40(62)52-26-38(47)60)23-19-32-25-51-34-17-9-8-15-33(32)34/h5-9,13-15,17,25,35-37,51H,3-4,10-12,16,18-24,26-29,46H2,1-2H3,(H2,47,60)(H,52,62)(H,53,64)(H,54,59)(H,55,61)(H,56,65)(H4,48,49,50)/t35-,36-,37+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50366880 (CHEMBL1793842) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#CCNC(=O)c1ccc(cc1)C#CCNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C67H85N11O23P2/c1-37(2)32-51(59(68)85)75-67(93)58(40(6)80)78-63(89)50(28-29-56(83)84)74-64(90)54(35-45-18-26-49(27-19-45)101-103(97,98)99)76-61(87)47-22-14-43(15-23-47)10-8-30-69-60(86)46-20-12-42(13-21-46)11-9-31-70-62(88)52(33-38(3)4)73-55(82)36-71-66(92)57(39(5)79)77-65(91)53(72-41(7)81)34-44-16-24-48(25-17-44)100-102(94,95)96/h12-27,37-40,50-54,57-58,79-80H,28-36H2,1-7H3,(H2,68,85)(H,69,86)(H,70,88)(H,71,92)(H,72,81)(H,73,82)(H,74,90)(H,75,93)(H,76,87)(H,77,91)(H,78,89)(H,83,84)(H2,94,95,96)(H2,97,98,99)/t39-,40-,50+,51+,52+,53+,54+,57+,58+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)				Bioorg Med Chem Lett 13: 1241-4 (2003) BindingDB Entry DOI: 10.7270/Q2XD127G
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546078 (CHEMBL4750628) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)C1CCCCC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50274010 (CHEMBL4126411) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(CN)cc1)CS(F)(=O)=O |r| Show InChI InChI=1S/C33H48FN5O6S/c1-21(2)15-28(31(41)37-27(20-46(34,44)45)17-25-11-13-26(19-35)14-12-25)38-32(42)29(16-22(3)4)39-33(43)30(36-23(5)40)18-24-9-7-6-8-10-24/h6-14,21-22,27-30H,15-20,35H2,1-5H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)/t27-,28-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of human 20S constitutive proteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay				J Med Chem 61: 5395-5411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00685 BindingDB Entry DOI: 10.7270/Q29K4DRM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546076 (CHEMBL4744708) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(cc1)S(=O)(=O)SC[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50410249 (CHEMBL373344) Show SMILES CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O Show InChI InChI=1S/C44H65N13O8/c1-3-4-21-57(28(2)58)27-39(61)51-26-38(60)53-33(17-10-11-19-45)41(63)55-35(22-29-13-6-5-7-14-29)43(65)54-34(18-12-20-49-44(47)48)42(64)56-36(40(62)52-25-37(46)59)23-30-24-50-32-16-9-8-15-31(30)32/h5-9,13-16,24,33-36,50H,3-4,10-12,17-23,25-27,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,62)(H,53,60)(H,54,65)(H,55,63)(H,56,64)(H4,47,48,49)/t33-,34-,35+,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546077 (CHEMBL4742162) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50274036 (CHEMBL4128478) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)CS(F)(=O)=O |r| Show InChI InChI=1S/C31H44FN7O5S/c1-20(2)14-26(29(40)35-25(19-45(32,43)44)16-23-10-12-24(18-33)13-11-23)36-30(41)27(15-21(3)4)37-31(42)28(38-39-34)17-22-8-6-5-7-9-22/h5-13,20-21,25-28H,14-19,33H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)/t25-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of human 20S constitutive proteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay				J Med Chem 61: 5395-5411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00685 BindingDB Entry DOI: 10.7270/Q29K4DRM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50366877 (CHEMBL2369726) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#7])=O Show InChI InChI=1S/C78H123N21O35P2/c1-34(2)27-49(64(81)113)92-76(125)62(38(7)103)97-68(117)48(22-25-59(111)112)89-70(119)52(30-42-14-18-44(19-15-42)134-136(130,131)132)94-77(126)63(39(8)104)98-67(116)47(21-24-58(109)110)88-66(115)46(20-23-55(79)106)90-73(122)54(33-100)95-65(114)45(11-10-26-84-78(82)83)91-75(124)61(37(6)102)99-72(121)53(31-56(80)107)93-69(118)50(28-35(3)4)87-57(108)32-85-74(123)60(36(5)101)96-71(120)51(86-40(9)105)29-41-12-16-43(17-13-41)133-135(127,128)129/h12-19,34-39,45-54,60-63,100-104H,10-11,20-33H2,1-9H3,(H2,79,106)(H2,80,107)(H2,81,113)(H,85,123)(H,86,105)(H,87,108)(H,88,115)(H,89,119)(H,90,122)(H,91,124)(H,92,125)(H,93,118)(H,94,126)(H,95,114)(H,96,120)(H,97,117)(H,98,116)(H,99,121)(H,109,110)(H,111,112)(H4,82,83,84)(H2,127,128,129)(H2,130,131,132)/t36-,37-,38-,39-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,60+,61+,62+,63+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)				Bioorg Med Chem Lett 13: 1241-4 (2003) BindingDB Entry DOI: 10.7270/Q2XD127G
					More data for this Ligand-Target Pair
Proteasome subunit beta type-10 (Homo sapiens (Human))	BDBM50274036 (CHEMBL4128478) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](Cc1ccc(CN)cc1)CS(F)(=O)=O |r| Show InChI InChI=1S/C31H44FN7O5S/c1-20(2)14-26(29(40)35-25(19-45(32,43)44)16-23-10-12-24(18-33)13-11-23)36-30(41)27(15-21(3)4)37-31(42)28(38-39-34)17-22-8-6-5-7-9-22/h5-13,20-21,25-28H,14-19,33H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)/t25-,26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of human 20S immunoproteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay				J Med Chem 61: 5395-5411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00685 BindingDB Entry DOI: 10.7270/Q29K4DRM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50273999 (CHEMBL4129702) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(CN)cc1)CS(F)(=O)=O |r| Show InChI InChI=1S/C31H46FN5O5S/c1-20(2)14-27(30(39)35-25(19-43(32,41)42)16-23-10-12-24(18-33)13-11-23)37-31(40)28(15-21(3)4)36-29(38)26(34)17-22-8-6-5-7-9-22/h5-13,20-21,25-28H,14-19,33-34H2,1-4H3,(H,35,39)(H,36,38)(H,37,40)/t25-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of human 20S constitutive proteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay				J Med Chem 61: 5395-5411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00685 BindingDB Entry DOI: 10.7270/Q29K4DRM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546071 (CHEMBL4762654) Show SMILES OC(=O)C(F)(F)F.COc1ccc(cc1)S(=O)(=O)SC[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-2 (Homo sapiens (Human))	BDBM50274011 (CHEMBL4125911) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CS(F)(=O)=O |r| Show InChI InChI=1S/C35H52FN7O7S/c1-23(2)18-28(31(44)40-27(22-51(36,48)49)16-11-17-39-34(37)38)41-32(45)29(19-24(3)4)42-33(46)30(20-25-12-7-5-8-13-25)43-35(47)50-21-26-14-9-6-10-15-26/h5-10,12-15,23-24,27-30H,11,16-22H2,1-4H3,(H,40,44)(H,41,45)(H,42,46)(H,43,47)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of human 20S constitutive proteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay				J Med Chem 61: 5395-5411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00685 BindingDB Entry DOI: 10.7270/Q29K4DRM
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50410239 (CHEMBL190953) Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-40(62)56(21-11-10-19-45)28-39(61)54-36(22-30-13-6-5-7-14-30)42(64)55-35(18-12-20-49-44(47)48)43(65)57(27-38(60)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,58)(H,54,61)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50410247 (CHEMBL190080) Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O Show InChI InChI=1S/C46H69N13O8/c1-3-4-17-36(55-31(2)60)43(65)54-28-40(62)56-37(19-10-11-21-47)44(66)57-38(25-32-14-6-5-7-15-32)45(67)59(23-13-12-22-51-46(49)50)30-42(64)58(29-41(63)53-27-39(48)61)24-20-33-26-52-35-18-9-8-16-34(33)35/h5-9,14-16,18,26,36-38,52H,3-4,10-13,17,19-25,27-30,47H2,1-2H3,(H2,48,61)(H,53,63)(H,54,65)(H,55,60)(H,56,62)(H,57,66)(H4,49,50,51)/t36-,37-,38+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50410248 (CHEMBL186970) Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C43H63N11O8/c1-3-4-16-33(50-28(2)55)40(59)49-26-39(58)54(21-11-10-19-44)27-38(57)51-35(22-29-13-6-5-7-14-29)43(62)52-34(18-12-20-45)42(61)53-36(41(60)48-25-37(46)56)23-30-24-47-32-17-9-8-15-31(30)32/h5-9,13-15,17,24,33-36,47H,3-4,10-12,16,18-23,25-27,44-45H2,1-2H3,(H2,46,56)(H,48,60)(H,49,59)(H,50,55)(H,51,57)(H,52,62)(H,53,61)/t33-,34-,35+,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50410251 (CHEMBL2371835) Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.49,25.25,16.16,wD:4.3,(27.31,-19.56,;25.86,-19.03,;24.68,-20.02,;23.23,-19.48,;22.05,-20.47,;22.31,-21.99,;23.76,-22.52,;24.94,-21.53,;24.02,-24.04,;20.61,-19.94,;20.34,-18.42,;19.42,-20.93,;17.98,-20.39,;16.79,-21.38,;17.06,-22.9,;15.35,-20.85,;14.17,-21.84,;14.43,-23.35,;15.88,-23.88,;16.14,-25.4,;17.58,-25.93,;17.85,-27.45,;12.72,-21.31,;13.4,-19.92,;11.54,-22.29,;10.09,-21.76,;9.83,-20.24,;11.01,-19.26,;10.75,-17.74,;11.93,-16.75,;13.38,-17.28,;13.64,-18.8,;12.46,-19.79,;8.91,-22.75,;9.17,-24.26,;7.46,-22.22,;7.2,-20.7,;5.76,-20.17,;5.49,-18.65,;4.05,-18.12,;3.79,-16.6,;4.97,-15.61,;4.71,-14.1,;6.41,-16.15,;6.28,-23.2,;4.84,-22.67,;4.57,-21.15,;3.65,-23.66,;2.21,-23.13,;1.03,-24.11,;-.42,-23.58,;-.84,-22.1,;-2.38,-22.04,;-2.91,-23.49,;-4.34,-24.06,;-4.56,-25.58,;-3.35,-26.54,;-1.92,-25.96,;-1.7,-24.44,;1.95,-21.61,;3.13,-20.62,;.5,-21.08,;.24,-19.56,;-1.21,-19.03,;-1.47,-17.51,;-2.39,-20.02,)| Show InChI InChI=1S/C45H67N13O8/c1-3-4-17-34(54-29(2)59)41(63)53-27-39(61)55-35(19-10-11-20-46)43(65)57-37(23-30-14-6-5-7-15-30)44(66)58(22-13-12-21-50-45(48)49)28-40(62)56-36(42(64)52-26-38(47)60)24-31-25-51-33-18-9-8-16-32(31)33/h5-9,14-16,18,25,34-37,51H,3-4,10-13,17,19-24,26-28,46H2,1-2H3,(H2,47,60)(H,52,64)(H,53,63)(H,54,59)(H,55,61)(H,56,62)(H,57,65)(H4,48,49,50)/t34-,35-,36?,37+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells				J Med Chem 48: 4224-30 (2005) Article DOI: 10.1021/jm0490033 BindingDB Entry DOI: 10.7270/Q2QV3NQ5
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546075 (CHEMBL4755488) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)c1ccc(C)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546074 (CHEMBL4799021) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546073 (CHEMBL4740177) Show SMILES OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CSS(=O)(=O)C1CCCCC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546070 (CHEMBL4764681) Show SMILES OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CSS(=O)(=O)c1ccc(C)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546072 (CHEMBL4794953) Show SMILES OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CSS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50546069 (CHEMBL4758732) Show SMILES OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CSS(=O)(=O)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.014 BindingDB Entry DOI: 10.7270/Q2DV1PGW
					More data for this Ligand-Target Pair
Proteasome subunit beta type-10 (Homo sapiens (Human))	BDBM50274033 (CHEMBL4128898) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)CS(F)(=O)=O |r| Show InChI InChI=1S/C30H44FN5O5S/c1-19(2)14-26(29(38)34-24(18-42(31,40)41)16-22-10-12-23(32)13-11-22)36-30(39)27(15-20(3)4)35-28(37)25(33)17-21-8-6-5-7-9-21/h5-13,19-20,24-27H,14-18,32-33H2,1-4H3,(H,34,38)(H,35,37)(H,36,39)/t24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Inhibition of human 20S immunoproteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay				J Med Chem 61: 5395-5411 (2018) Article DOI: 10.1021/acs.jmedchem.8b00685 BindingDB Entry DOI: 10.7270/Q29K4DRM
					More data for this Ligand-Target Pair

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