Compile Data Set for Download or QSAR

Found 19457 hits with Last Name = 'lu' and Initial = 'k'   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007522 (5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC |r| Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Research Centre AB Curated by ChEMBL					Assay Description Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2				J Med Chem 34: 948-55 (1991) BindingDB Entry DOI: 10.7270/Q2GT5NS9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007508 ((R) N-(1-Benzyl-pyrrolidin-2-ylmethyl)-5-bromo-2,3...) Show SMILES COc1cc(Br)cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-12-16(22)11-18(20(19)27-2)21(25)23-13-17-9-6-10-24(17)14-15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10,13-14H2,1-2H3,(H,23,25)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Research Centre AB Curated by ChEMBL					Assay Description Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2				J Med Chem 34: 948-55 (1991) BindingDB Entry DOI: 10.7270/Q2GT5NS9
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50155307 (CHEMBL3781796) Show SMILES [H]C1(NC(=O)C(Cc2ccccc2)NC(=O)C([H])(NC(=O)C(CCCCN)NC(=O)C([H])(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CSSCC(NC(=O)C(CO)NC1=O)C(O)=O)NC(=O)CNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(N)CO)C(C)O)C(C)O)C(C)O Show InChI InChI=1S/C130H204N40O40S3/c1-64(146-106(187)75(34-18-21-44-131)151-108(189)78(37-24-47-142-129(138)139)152-111(192)80(41-42-98(181)182)154-109(190)79(38-25-48-143-130(140)141)155-122(203)93-40-26-49-169(93)126(207)67(4)148-107(188)81(43-51-211-8)150-103(184)66(3)147-121(202)92-39-27-50-170(92)127(208)87(57-96(137)179)162-118(199)88(60-172)163-115(196)85(55-94(135)177)157-104(185)65(2)145-105(186)74(134)59-171)102(183)144-58-97(180)149-90-62-212-213-63-91(128(209)210)165-119(200)89(61-173)164-125(206)101(70(7)176)168-117(198)84(54-73-32-16-11-17-33-73)161-124(205)100(69(6)175)166-112(193)77(36-20-23-46-133)156-123(204)99(68(5)174)167-116(197)83(53-72-30-14-10-15-31-72)159-113(194)82(52-71-28-12-9-13-29-71)158-114(195)86(56-95(136)178)160-110(191)76(153-120(90)201)35-19-22-45-132/h9-17,28-33,64-70,74-93,99-101,171-176H,18-27,34-63,131-134H2,1-8H3,(H2,135,177)(H2,136,178)(H2,137,179)(H,144,183)(H,145,186)(H,146,187)(H,147,202)(H,148,188)(H,149,180)(H,150,184)(H,151,189)(H,152,192)(H,153,201)(H,154,190)(H,155,203)(H,156,204)(H,157,185)(H,158,195)(H,159,194)(H,160,191)(H,161,205)(H,162,199)(H,163,196)(H,164,206)(H,165,200)(H,166,193)(H,167,197)(H,168,198)(H,181,182)(H,209,210)(H4,138,139,142)(H4,140,141,143)/t64-,65-,66-,67-,68+,69+,70+,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84-,85?,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [125I]tyr11-SRIF from human sst2 receptor after 60 mins by liquid scintillation counting method				Eur J Med Chem 114: 59-64 (2016) Article DOI: 10.1016/j.ejmech.2016.02.046 BindingDB Entry DOI: 10.7270/Q2WH2RWC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451823 (CHEMBL2112840) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:23,THB:3:4:17:9.15.14,10:9:17:4.5.6| Show InChI InChI=1S/C26H31NO9/c28-15-5-3-12-9-14-13-4-6-16(34-25-20(31)18(29)19(30)22(36-25)24(32)33)23-26(13,17(12)21(15)35-23)7-8-27(14)10-11-1-2-11/h3-6,11,13-14,16,18-20,22-23,25,28-31H,1-2,7-10H2,(H,32,33)/t13-,14+,16-,18-,19-,20-,22+,23-,25+,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007517 ((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Research Centre AB Curated by ChEMBL					Assay Description Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2				J Med Chem 34: 948-55 (1991) BindingDB Entry DOI: 10.7270/Q2GT5NS9
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283248 ((trans)-4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-[2- (...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1CO |r| Show InChI InChI=1S/C23H25FN4O3S/c24-19-11-15(9-10-18(19)21-12-27-23(25)13-26-21)17-6-2-4-8-22(17)32(30,31)28-20-7-3-1-5-16(20)14-29/h2,4,6,8-13,16,20,28-29H,1,3,5,7,14H2,(H2,25,27)/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283288 (4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1R,2S)- 2-h...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C25H21FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-11,13-14,22,25,30-31H,12H2,(H2,27,29)/t22-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283245 (4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1S,2S)- 1-h...) Show SMILES C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r| Show InChI InChI=1S/C26H25FN4O3S/c1-17(26(32)18-8-4-3-5-9-18)31(2)35(33,34)24-11-7-6-10-20(24)19-12-13-21(22(27)14-19)23-15-30-25(28)16-29-23/h3-17,26,32H,1-2H3,(H2,28,30)/t17-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283287 (4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1S,2R)- 2-h...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C25H21FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-11,13-14,22,25,30-31H,12H2,(H2,27,29)/t22-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50223890 ((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...) Show SMILES CC1(C)C2CC[C@@]1(C(=O)C2)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O |w:3.10,THB:8:7:5.4:1| Show InChI InChI=1S/C31H33N3O7S/c1-30(2)20-12-13-31(30,24(35)16-20)42(40,41)34-23(29(38)39)14-17-6-8-18(9-7-17)19-4-3-5-22(15-19)33-26-25(27(36)28(26)37)32-21-10-11-21/h3-9,15,20-21,23,32-34H,10-14,16H2,1-2H3,(H,38,39)/t20?,23-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Healthcare AG Curated by ChEMBL					Assay Description Binding affinity to integrin alphavbeta3 receptor				Bioorg Med Chem Lett 17: 6151-4 (2007) Article DOI: 10.1016/j.bmcl.2007.09.039 BindingDB Entry DOI: 10.7270/Q2KS6R8S
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283262 ((S)-(1-{[4'-(5-Aminopyrazin-2-yl)-3'- fluorobiphen...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1[C@H](CO)Cc2ccccc12 |r| Show InChI InChI=1S/C25H21FN4O3S/c26-21-12-16(9-10-20(21)22-13-29-25(27)14-28-22)19-6-2-4-8-24(19)34(32,33)30-18(15-31)11-17-5-1-3-7-23(17)30/h1-10,12-14,18,31H,11,15H2,(H2,27,29)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50124947 (CHEMBL453539) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of bovine beta-trypsin type-3 using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured over 60 mins				J Med Chem 60: 504-510 (2017) Article DOI: 10.1021/acs.jmedchem.6b01011 BindingDB Entry DOI: 10.7270/Q2RJ4MRS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283508 (2-{2'-[(1,1-Dioxidothiomorpholin-4-yl)sulfonyl]- 3...) Show SMILES Fc1cc(ccc1-c1cnc2[nH]ccc2n1)-c1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H19FN4O4S2/c23-18-13-15(5-6-17(18)20-14-25-22-19(26-20)7-8-24-22)16-3-1-2-4-21(16)33(30,31)27-9-11-32(28,29)12-10-27/h1-8,13-14H,9-12H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283516 (4'-(3,4-Dihydro-2H-pyrido[3,2-b][1,4]oxazin-7- yl)...) Show SMILES C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2NCCOc2c1 |r| Show InChI InChI=1S/C22H22FN3O4S/c1-14(13-27)26-31(28,29)21-5-3-2-4-18(21)15-6-7-17(19(23)10-15)16-11-20-22(25-12-16)24-8-9-30-20/h2-7,10-12,14,26-27H,8-9,13H2,1H3,(H,24,25)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283335 (4'-(5-Aminopyrazxin-2-yl)-3'-fluoro-N-methyl-4- (t...) Show SMILES CNS(=O)(=O)c1cc(ccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F Show InChI InChI=1S/C18H14F4N4O2S/c1-24-29(27,28)16-7-11(18(20,21)22)3-5-12(16)10-2-4-13(14(19)6-10)15-8-26-17(23)9-25-15/h2-9,24H,1H3,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283337 (4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-(2- hydroxyet...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(cc1S(=O)(=O)NCCO)C(F)(F)F Show InChI InChI=1S/C19H16F4N4O3S/c20-15-7-11(1-3-14(15)16-9-26-18(24)10-25-16)13-4-2-12(19(21,22)23)8-17(13)31(29,30)27-5-6-28/h1-4,7-10,27-28H,5-6H2,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283303 (5-{3-Fluoro-2'-[(4-pyrazin-2-ylpiperazin-1- yl)sul...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C24H22FN7O2S/c25-20-13-17(5-6-19(20)21-14-30-23(26)15-29-21)18-3-1-2-4-22(18)35(33,34)32-11-9-31(10-12-32)24-16-27-7-8-28-24/h1-8,13-16H,9-12H2,(H2,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283677 (5-[3-Fluoro-2'-(pyrimidin-2-yloxy)-4'- (trifluorom...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(cc1Oc1ncccn1)C(F)(F)F Show InChI InChI=1S/C21H13F4N5O/c22-16-8-12(2-4-15(16)17-10-30-19(26)11-29-17)14-5-3-13(21(23,24)25)9-18(14)31-20-27-6-1-7-28-20/h1-11H,(H2,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283502 (3'-Fluoro-4'-(5H-pyrrolo[2,3-b]pyrazin-2-yl)N-- N-...) Show SMILES CC(NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2[nH]ccc2n1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283229 (4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-(3- hydroxy-1...) Show SMILES CC(C)(CCO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,9-10-27)26-30(28,29)19-6-4-3-5-15(19)14-7-8-16(17(22)11-14)18-12-25-20(23)13-24-18/h3-8,11-13,26-27H,9-10H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283304 (5-{3-Fluoro-2'-[(4-pyrimidin-2-ylpiperazin-1- yl)s...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C24H22FN7O2S/c25-20-14-17(6-7-19(20)21-15-30-23(26)16-29-21)18-4-1-2-5-22(18)35(33,34)32-12-10-31(11-13-32)24-27-8-3-9-28-24/h1-9,14-16H,10-13H2,(H2,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283230 (4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-(3- hydroxy-2...) Show SMILES CC(C)(CO)CNS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,13-27)12-26-30(28,29)19-6-4-3-5-15(19)14-7-8-16(17(22)9-14)18-10-25-20(23)11-24-18/h3-11,26-27H,12-13H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM283306 (4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-[1- (hydroxym...) Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NC1(CO)CCCC1 Show InChI InChI=1S/C22H23FN4O3S/c23-18-11-15(7-8-17(18)19-12-26-21(24)13-25-19)16-5-1-2-6-20(16)31(29,30)27-22(14-28)9-3-4-10-22/h1-2,5-8,11-13,27-28H,3-4,9-10,14H2,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50302273 ((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)...) Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C47H55N9O7S2/c1-28(57)51-41-27-65-64-26-40(42(49)58)56-45(61)38(23-30-18-19-31-13-5-6-14-32(31)21-30)53-43(59)36(17-9-10-20-48)52-46(62)39(24-33-25-50-35-16-8-7-15-34(33)35)55-44(60)37(54-47(41)63)22-29-11-3-2-4-12-29/h2-8,11-16,18-19,21,25,36-41,50H,9-10,17,20,22-24,26-27,48H2,1H3,(H2,49,58)(H,51,57)(H,52,62)(H,53,59)(H,54,63)(H,55,60)(H,56,61)/t36-,37-,38-,39-,40-,41-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]urotensin 2 from rat urotensin 2 receptor expressed in CHOK1 cells by scintillation proximity assay				J Med Chem 52: 7432-45 (2009) Article DOI: 10.1021/jm900683d BindingDB Entry DOI: 10.7270/Q2S75GD7
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50252993 (CHEMBL4073678) Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-14-6-2-1-3-7-14)24-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Non-competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Linew...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50252992 (CHEMBL4100496) Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweave...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007509 (3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C16H22Cl2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Research Centre AB Curated by ChEMBL					Assay Description Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2				J Med Chem 34: 948-55 (1991) BindingDB Entry DOI: 10.7270/Q2GT5NS9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125686 (2-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...) Show SMILES CC1OC(O[C@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4C)c56)C(O)C(O)C1O |c:6,TLB:23:22:8:24.11.10| Show InChI InChI=1S/C23H29NO7/c1-10-17(26)18(27)19(28)22(29-10)30-15-6-4-12-13-9-11-3-5-14(25)20-16(11)23(12,21(15)31-20)7-8-24(13)2/h3-6,10,12-13,15,17-19,21-22,25-28H,7-9H2,1-2H3/t10?,12-,13+,15-,17?,18?,19?,21-,22?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50222915 (4'-[5-(4-pyrrolidin-1-ylmethyl-phenylamino)-1H-pyr...) Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCC3)cc2)[nH]n1 Show InChI InChI=1S/C26H26N4O2/c31-22-11-12-23(25(32)15-22)19-5-7-20(8-6-19)24-16-26(29-28-24)27-21-9-3-18(4-10-21)17-30-13-1-2-14-30/h3-12,15-16,31-32H,1-2,13-14,17H2,(H2,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human CHK1 expressed in baculovirus/insect cell system				J Med Chem 50: 5253-6 (2007) Article DOI: 10.1021/jm0704604 BindingDB Entry DOI: 10.7270/Q2K0754D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50491017 (CHEMBL2377343) Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(ccc1n2CCF)C#N Show InChI InChI=1S/C23H22FN3OS/c1-3-26(4-2)23(28)22-20-17-13-15(14-25)9-10-18(17)27(12-11-24)21(20)16-7-5-6-8-19(16)29-22/h5-10,13,22H,3-4,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GE Healthcare Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates				Bioorg Med Chem Lett 23: 2368-72 (2013) Article DOI: 10.1016/j.bmcl.2013.02.057 BindingDB Entry DOI: 10.7270/Q2PR7ZW9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007510 ((R) 3-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-yl...) Show SMILES COc1cc(Br)c(O)c(C(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)c1OC Show InChI InChI=1S/C21H24BrFN2O4/c1-28-17-10-16(22)19(26)18(20(17)29-2)21(27)24-11-15-4-3-9-25(15)12-13-5-7-14(23)8-6-13/h5-8,10,15,26H,3-4,9,11-12H2,1-2H3,(H,24,27)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Research Centre AB Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro				J Med Chem 34: 948-55 (1991) BindingDB Entry DOI: 10.7270/Q2GT5NS9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50222916 (4'-{5-[4-(dimethylamino-methyl)-phenylamino]-2H-py...) Show SMILES CN(C)Cc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1 Show InChI InChI=1S/C24H24N4O2/c1-28(2)15-16-3-9-19(10-4-16)25-24-14-22(26-27-24)18-7-5-17(6-8-18)21-12-11-20(29)13-23(21)30/h3-14,29-30H,15H2,1-2H3,(H2,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human CHK1 expressed in baculovirus/insect cell system				J Med Chem 50: 5253-6 (2007) Article DOI: 10.1021/jm0704604 BindingDB Entry DOI: 10.7270/Q2K0754D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50222920 (4'-{5-[6-(sec-butylamino-methyl)-pyridin-3-ylamino...) Show SMILES CCC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cn1 Show InChI InChI=1S/C25H27N5O2/c1-3-16(2)26-14-19-8-9-20(15-27-19)28-25-13-23(29-30-25)18-6-4-17(5-7-18)22-11-10-21(31)12-24(22)32/h4-13,15-16,26,31-32H,3,14H2,1-2H3,(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human CHK1 expressed in baculovirus/insect cell system				J Med Chem 50: 5253-6 (2007) Article DOI: 10.1021/jm0704604 BindingDB Entry DOI: 10.7270/Q2K0754D
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451820 (CHEMBL3085267) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6| Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50090529 (2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octah...) Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCC2C1 Show InChI InChI=1S/C25H25N3O2S/c29-31(30,25-9-3-6-19-5-1-2-8-23(19)25)28-14-12-20-10-11-21(17-24(20)28)27-16-15-26-13-4-7-22(26)18-27/h1-3,5-6,8-12,14,17,22H,4,7,13,15-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells				Bioorg Med Chem Lett 10: 1719-21 (2000) BindingDB Entry DOI: 10.7270/Q2BP021W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50401333 (CHEMBL1230584) Show SMILES COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay				J Med Chem 55: 7786-95 (2012) Article DOI: 10.1021/jm300810x BindingDB Entry DOI: 10.7270/Q2V125Z3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451826 (CHEMBL2112797) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50363527 (CHEMBL1945412 | US9481685, [18F]FE-PBR) Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GE Healthcare Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates				Bioorg Med Chem Lett 23: 2368-72 (2013) Article DOI: 10.1016/j.bmcl.2013.02.057 BindingDB Entry DOI: 10.7270/Q2PR7ZW9
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50491024 (CHEMBL2377352) Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(Cl)ccc1n2CCF Show InChI InChI=1S/C22H22ClFN2OS/c1-3-25(4-2)22(27)21-19-16-13-14(23)9-10-17(16)26(12-11-24)20(19)15-7-5-6-8-18(15)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GE Healthcare Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates				Bioorg Med Chem Lett 23: 2368-72 (2013) Article DOI: 10.1016/j.bmcl.2013.02.057 BindingDB Entry DOI: 10.7270/Q2PR7ZW9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50135249 ((S)-1-((2S,4R)-4-(5-fluorobenzo[b]thiophen-2-yl)-2...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(F)ccc2s1 Show InChI InChI=1S/C26H29FN2O2S/c1-16-10-22-23(28-16)4-3-5-24(22)31-15-21(30)14-29-9-8-18(11-17(29)2)26-13-19-12-20(27)6-7-25(19)32-26/h3-7,10,12-13,17-18,21,28,30H,8-9,11,14-15H2,1-2H3/t17-,18+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50152456 ((S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]...) Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]T226296 from rat recombinant MCH1 receptor				J Med Chem 50: 3883-90 (2007) Article DOI: 10.1021/jm060383x BindingDB Entry DOI: 10.7270/Q25D8RJM
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50318494 (3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles				J Med Chem 30: 690-5 (1987) BindingDB Entry DOI: 10.7270/Q2BC404T
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50152456 ((S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]...) Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells				J Med Chem 50: 3870-82 (2007) Article DOI: 10.1021/jm060381c BindingDB Entry DOI: 10.7270/Q2930SWM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451822 (CHEMBL2112839) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |THB:10:9:14:4.5.6,3:4:14:9.12.11| Show InChI InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2,4,10-11,13,15-17,19-20,22,25-28H,3,5-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17-,19+,20-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50491021 (CHEMBL2377344) Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC(F)(F)F)ccc1n2CCF Show InChI InChI=1S/C23H22F4N2O2S/c1-3-28(4-2)22(30)21-19-16-13-14(31-23(25,26)27)9-10-17(16)29(12-11-24)20(19)15-7-5-6-8-18(15)32-21/h5-10,13,21H,3-4,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GE Healthcare Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates				Bioorg Med Chem Lett 23: 2368-72 (2013) Article DOI: 10.1016/j.bmcl.2013.02.057 BindingDB Entry DOI: 10.7270/Q2PR7ZW9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130163 ((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(4-methoxy-b...) Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1 Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50252992 (CHEMBL4100496) Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr. Curated by ChEMBL					Assay Description Competitive inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweave...				Bioorg Med Chem 25: 3547-3554 (2017) Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451819 (CHEMBL2079659) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair

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