Compile Data Set for Download or QSAR

Found 5233 hits with Last Name = 'hou' and Initial = 'x'   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM50250493 (CHEMBL4068445) Show SMILES CN1CCC2(CCN(CC2)c2cccc3[C@H](N(CCc23)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)C1=O Show InChI InChI=1S/C36H34ClFN8O5/c1-43-18-14-36(35(43)51)15-19-44(20-16-36)28-4-2-3-25-24(28)13-17-45(32(25)33(48)40-23-7-5-22(6-8-23)34(49)50)30(47)12-9-26-29(46-21-39-41-42-46)11-10-27(37)31(26)38/h2-12,21,32H,13-20H2,1H3,(H,40,48)(H,49,50)/b12-9+/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50040861 ((S)-2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUIN...) Show SMILES Cc1nc2ccc3ccc(CNc4ccc5C(=O)N(Cc5c4)[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1 Show InChI InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of TS by spectrophotometry				Bioorg Med Chem 19: 3585-94 (2011) Article DOI: 10.1016/j.bmc.2011.03.067 BindingDB Entry DOI: 10.7270/Q22V2GGP
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250492 (CHEMBL4097304) Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C34H34ClFN8O4/c1-41(2)23-14-17-42(18-15-23)28-5-3-4-25-24(28)16-19-43(32(25)33(46)38-22-8-6-21(7-9-22)34(47)48)30(45)13-10-26-29(44-20-37-39-40-44)12-11-27(35)31(26)36/h3-13,20,23,32H,14-19H2,1-2H3,(H,38,46)(H,47,48)/b13-10+/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398003 (CHEMBL2180402) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2nc(C)ccc2c1=O Show InChI InChI=1S/C28H26N4O5/c1-16(2)37-22-7-5-6-20-24(22)28(35)31(26(20)33)15-14-23-30-25-21(13-8-17(3)29-25)27(34)32(23)18-9-11-19(36-4)12-10-18/h5-13,16H,14-15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL 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
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398003 (CHEMBL2180402) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2nc(C)ccc2c1=O Show InChI InChI=1S/C28H26N4O5/c1-16(2)37-22-7-5-6-20-24(22)28(35)31(26(20)33)15-14-23-30-25-21(13-8-17(3)29-25)27(34)32(23)18-9-11-19(36-4)12-10-18/h5-13,16H,14-15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL 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
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004178 (Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase KEGG 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
Purdue Pharma LP Curated by ChEMBL					Assay Description Inhibition of [3H]nociceptin binding to human Opioid receptor like 1				Bioorg Med Chem Lett 14: 5045-50 (2004) Article DOI: 10.1016/j.bmcl.2004.08.001 BindingDB Entry DOI: 10.7270/Q2TM7BV8
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220380 (US9290488, ZA01) Show SMILES NC1(CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O)C(O)=O Show InChI InChI=1S/C30H41N5O3/c31-30(29(37)38)17-33(18-30)27-28(36)35(26-11-4-3-10-25(26)32-27)24-15-21-8-5-9-22(16-24)34(21)23-13-19-6-1-2-7-20(12-19)14-23/h3-4,10-11,19-24H,1-2,5-9,12-18,31H2,(H,37,38)/t19-,20+,21-,22+,23-,24+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.220	-55.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50252829 ((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O3S/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	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
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
PACAP (RAT)	BDBM50250019 (CHEMBL524658 | PACAP | PACAP(1-38) | PACAP-38 | PA...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C203H331N63O53S/c1-18-109(12)162(262-156(279)99-230-170(290)147(95-157(280)281)255-193(313)149(100-267)259-168(288)124(211)93-119-97-224-103-231-119)198(318)257-145(88-114-40-20-19-21-41-114)191(311)266-163(113(16)270)199(319)258-148(96-158(282)283)190(310)261-151(102-269)194(314)253-144(92-118-59-67-123(274)68-60-118)188(308)260-150(101-268)192(312)243-134(51-38-83-227-202(220)221)180(300)251-142(90-116-55-63-121(272)64-56-116)186(306)242-132(49-36-81-225-200(216)217)176(296)237-127(44-24-31-76-206)173(293)245-137(70-72-153(213)276)182(302)246-138(73-85-320-17)171(291)233-112(15)167(287)263-159(106(6)7)195(315)247-130(47-27-34-79-209)175(295)238-129(46-26-33-78-208)177(297)252-143(91-117-57-65-122(273)66-58-117)187(307)249-140(87-105(4)5)184(304)234-110(13)165(285)232-111(14)166(286)264-160(107(8)9)197(317)256-139(86-104(2)3)169(289)229-98-155(278)235-126(43-23-30-75-205)172(292)239-133(50-37-82-226-201(218)219)179(299)250-141(89-115-53-61-120(271)62-54-115)185(305)241-128(45-25-32-77-207)174(294)244-136(69-71-152(212)275)181(301)240-135(52-39-84-228-203(222)223)183(303)265-161(108(10)11)196(316)248-131(48-28-35-80-210)178(298)254-146(94-154(214)277)189(309)236-125(164(215)284)42-22-29-74-204/h19-21,40-41,53-68,97,103-113,124-151,159-163,267-274H,18,22-39,42-52,69-96,98-102,204-211H2,1-17H3,(H2,212,275)(H2,213,276)(H2,214,277)(H2,215,284)(H,224,231)(H,229,289)(H,230,290)(H,232,285)(H,233,291)(H,234,304)(H,235,278)(H,236,309)(H,237,296)(H,238,295)(H,239,292)(H,240,301)(H,241,305)(H,242,306)(H,243,312)(H,244,294)(H,245,293)(H,246,302)(H,247,315)(H,248,316)(H,249,307)(H,250,299)(H,251,300)(H,252,297)(H,253,314)(H,254,298)(H,255,313)(H,256,317)(H,257,318)(H,258,319)(H,259,288)(H,260,308)(H,261,310)(H,262,279)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,280,281)(H,282,283)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by PDSP Ki Database									Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1002/cbic.201402512 BindingDB Entry DOI: 10.7270/Q2251GP3
					More data for this Ligand-Target Pair
PACAP (RAT)	BDBM82448 ([Ala2]PACAP(1-27)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C143H226N40O38S/c1-17-76(10)114(180-109(191)68-157-122(202)96(49-51-110(192)193)163-118(198)78(12)160-121(201)90(147)65-86-67-154-71-158-86)140(220)176-104(61-82-29-19-18-20-30-82)135(215)183-115(81(15)186)141(221)177-105(66-111(194)195)134(214)179-107(70-185)137(217)175-103(64-85-40-46-89(189)47-41-85)133(213)178-106(69-184)136(216)167-95(35-28-57-156-143(152)153)128(208)173-101(62-83-36-42-87(187)43-37-83)131(211)166-94(34-27-56-155-142(150)151)126(206)164-91(31-21-24-53-144)124(204)168-97(48-50-108(148)190)129(209)169-98(52-58-222-16)123(203)161-80(14)120(200)181-112(74(6)7)138(218)170-93(33-23-26-55-146)125(205)165-92(32-22-25-54-145)127(207)174-102(63-84-38-44-88(188)45-39-84)132(212)172-100(60-73(4)5)130(210)162-77(11)117(197)159-79(13)119(199)182-113(75(8)9)139(219)171-99(116(149)196)59-72(2)3/h18-20,29-30,36-47,67,71-81,90-107,112-115,184-189H,17,21-28,31-35,48-66,68-70,144-147H2,1-16H3,(H2,148,190)(H2,149,196)(H,154,158)(H,157,202)(H,159,197)(H,160,201)(H,161,203)(H,162,210)(H,163,198)(H,164,206)(H,165,205)(H,166,211)(H,167,216)(H,168,204)(H,169,209)(H,170,218)(H,171,219)(H,172,212)(H,173,208)(H,174,207)(H,175,217)(H,176,220)(H,177,221)(H,178,213)(H,179,214)(H,180,191)(H,181,200)(H,182,199)(H,183,215)(H,192,193)(H,194,195)(H4,150,151,155)(H4,152,153,156)/t76?,77-,78-,79-,80-,81+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by PDSP Ki Database									Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1002/cbic.201402512 BindingDB Entry DOI: 10.7270/Q2251GP3
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220382 (US9290488, ZA03) Show SMILES CN(C)C1(CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O)C(O)=O Show InChI InChI=1S/C32H45N5O3/c1-34(2)32(31(39)40)19-35(20-32)29-30(38)37(28-13-6-5-12-27(28)33-29)26-17-23-10-7-11-24(18-26)36(23)25-15-21-8-3-4-9-22(14-21)16-25/h5-6,12-13,21-26H,3-4,7-11,14-20H2,1-2H3,(H,39,40)/t21-,22+,23-,24+,25-,26+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.340	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250501 (CHEMBL4078562) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C31H27ClFN7O5/c32-24-9-10-26(40-18-34-36-37-40)23(28(24)33)8-11-27(41)39-13-12-21-22(2-1-3-25(21)38-14-16-45-17-15-38)29(39)30(42)35-20-6-4-19(5-7-20)31(43)44/h1-11,18,29H,12-17H2,(H,35,42)(H,43,44)/b11-8+/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250490 (CHEMBL4087166) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCSCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C31H27ClFN7O4S/c32-24-9-10-26(40-18-34-36-37-40)23(28(24)33)8-11-27(41)39-13-12-21-22(2-1-3-25(21)38-14-16-45-17-15-38)29(39)30(42)35-20-6-4-19(5-7-20)31(43)44/h1-11,18,29H,12-17H2,(H,35,42)(H,43,44)/b11-8+/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
PACAP (RAT)	BDBM50250023 (CHEMBL500280 | [Ala2]PACAP(1-38) | [Ala2]PACAP38) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C203H331N63O52S/c1-19-109(12)162(262-156(278)100-230-171(290)148(96-157(279)280)250-166(285)111(14)233-169(288)125(211)94-120-98-224-103-231-120)198(317)258-146(89-115-41-21-20-22-42-115)192(311)266-163(114(17)269)199(318)259-149(97-158(281)282)191(310)261-151(102-268)194(313)255-145(93-119-60-68-124(273)69-61-119)189(308)260-150(101-267)193(312)244-135(52-39-84-227-202(220)221)181(300)253-143(91-117-56-64-122(271)65-57-117)187(306)243-133(50-37-82-225-200(216)217)177(296)238-128(45-25-32-77-206)174(293)246-138(71-73-153(213)275)183(302)247-139(74-86-319-18)172(291)234-113(16)168(287)263-159(106(6)7)195(314)248-131(48-28-35-80-209)176(295)239-130(47-27-34-79-208)178(297)254-144(92-118-58-66-123(272)67-59-118)188(307)251-141(88-105(4)5)185(304)235-110(13)165(284)232-112(15)167(286)264-160(107(8)9)197(316)257-140(87-104(2)3)170(289)229-99-155(277)236-127(44-24-31-76-205)173(292)240-134(51-38-83-226-201(218)219)180(299)252-142(90-116-54-62-121(270)63-55-116)186(305)242-129(46-26-33-78-207)175(294)245-137(70-72-152(212)274)182(301)241-136(53-40-85-228-203(222)223)184(303)265-161(108(10)11)196(315)249-132(49-29-36-81-210)179(298)256-147(95-154(214)276)190(309)237-126(164(215)283)43-23-30-75-204/h20-22,41-42,54-69,98,103-114,125-151,159-163,267-273H,19,23-40,43-53,70-97,99-102,204-211H2,1-18H3,(H2,212,274)(H2,213,275)(H2,214,276)(H2,215,283)(H,224,231)(H,229,289)(H,230,290)(H,232,284)(H,233,288)(H,234,291)(H,235,304)(H,236,277)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,314)(H,249,315)(H,250,285)(H,251,307)(H,252,299)(H,253,300)(H,254,297)(H,255,313)(H,256,298)(H,257,316)(H,258,317)(H,259,318)(H,260,308)(H,261,310)(H,262,278)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,279,280)(H,281,282)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109-,110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by PDSP Ki Database									Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1002/cbic.201402512 BindingDB Entry DOI: 10.7270/Q2251GP3
					More data for this Ligand-Target Pair
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50280750 (CHEMBL4160361) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/b13-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
RAS guanyl-releasing protein 1 (Homo sapiens (Human))	BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Industrial Technology Curated by ChEMBL					Assay Description Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation co...				Bioorg Med Chem 25: 2971-2980 (2017) Article DOI: 10.1016/j.bmc.2017.03.022 BindingDB Entry DOI: 10.7270/Q28P62P2
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398012 (CHEMBL2180422 | US8492392, 1-17) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)S(=O)(=O)c1cccnc1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H20ClN5O3S/c1-13(2)29-20-16-12-26(30(27,28)15-4-3-8-22-11-15)9-7-17(16)24-19(25-20)14-5-6-18(21)23-10-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
PACAP (RAT)	BDBM82447 ([DAla2]PACAP(1-38)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C203H331N63O52S/c1-19-109(12)162(262-156(278)100-230-171(290)148(96-157(279)280)250-166(285)111(14)233-169(288)125(211)94-120-98-224-103-231-120)198(317)258-146(89-115-41-21-20-22-42-115)192(311)266-163(114(17)269)199(318)259-149(97-158(281)282)191(310)261-151(102-268)194(313)255-145(93-119-60-68-124(273)69-61-119)189(308)260-150(101-267)193(312)244-135(52-39-84-227-202(220)221)181(300)253-143(91-117-56-64-122(271)65-57-117)187(306)243-133(50-37-82-225-200(216)217)177(296)238-128(45-25-32-77-206)174(293)246-138(71-73-153(213)275)183(302)247-139(74-86-319-18)172(291)234-113(16)168(287)263-159(106(6)7)195(314)248-131(48-28-35-80-209)176(295)239-130(47-27-34-79-208)178(297)254-144(92-118-58-66-123(272)67-59-118)188(307)251-141(88-105(4)5)185(304)235-110(13)165(284)232-112(15)167(286)264-160(107(8)9)197(316)257-140(87-104(2)3)170(289)229-99-155(277)236-127(44-24-31-76-205)173(292)240-134(51-38-83-226-201(218)219)180(299)252-142(90-116-54-62-121(270)63-55-116)186(305)242-129(46-26-33-78-207)175(294)245-137(70-72-152(212)274)182(301)241-136(53-40-85-228-203(222)223)184(303)265-161(108(10)11)196(315)249-132(49-29-36-81-210)179(298)256-147(95-154(214)276)190(309)237-126(164(215)283)43-23-30-75-204/h20-22,41-42,54-69,98,103-114,125-151,159-163,267-273H,19,23-40,43-53,70-97,99-102,204-211H2,1-18H3,(H2,212,274)(H2,213,275)(H2,214,276)(H2,215,283)(H,224,231)(H,229,289)(H,230,290)(H,232,284)(H,233,288)(H,234,291)(H,235,304)(H,236,277)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,314)(H,249,315)(H,250,285)(H,251,307)(H,252,299)(H,253,300)(H,254,297)(H,255,313)(H,256,298)(H,257,316)(H,258,317)(H,259,318)(H,260,308)(H,261,310)(H,262,278)(H,263,287)(H,264,286)(H,265,303)(H,266,311)(H,279,280)(H,281,282)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)(H4,222,223,228)/t109?,110-,111+,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,159-,160-,161-,162-,163-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by PDSP Ki Database									Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1002/cbic.201402512 BindingDB Entry DOI: 10.7270/Q2251GP3
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) Show SMILES CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM172430 (US9090618, ZA53 | US9598411, Ref. No. ZA53) Show SMILES O=C1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)N1 Show InChI InChI=1S/C30H42N4O/c35-30-13-12-22(31-30)17-29-32-27-10-3-4-11-28(27)34(29)26-18-23-8-5-9-24(19-26)33(23)25-15-20-6-1-2-7-21(14-20)16-25/h3-4,10-11,20-26H,1-2,5-9,12-19H2,(H,31,35)/t20-,21+,22-,23-,24+,25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM172430 (US9090618, ZA53 | US9598411, Ref. No. ZA53) Show SMILES O=C1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)N1 Show InChI InChI=1S/C30H42N4O/c35-30-13-12-22(31-30)17-29-32-27-10-3-4-11-28(27)34(29)26-18-23-8-5-9-24(19-26)33(23)25-15-20-6-1-2-7-21(14-20)16-25/h3-4,10-11,20-26H,1-2,5-9,12-19H2,(H,31,35)/t20-,21+,22-,23-,24+,25-,26+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220363 (US9290488, B20a(i)) Show SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@@H]2C(O)=O)c1=O Show InChI InChI=1S/C31H40N4O3/c1-31-17-18-11-19(31)13-20(31)14-23(12-18)34-21-5-4-6-22(34)16-24(15-21)35-26-8-3-2-7-25(26)32-28(29(35)36)33-10-9-27(33)30(37)38/h2-3,7-8,18-24,27H,4-6,9-17H2,1H3,(H,37,38)/t18-,19+,20+,21-,22+,23-,24+,27-,31?/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.890	-51.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398013 (CHEMBL2180421 | US8492392, K-2) Show SMILES CC(C)Oc1nc(nc2CCN(Cc12)C(=O)Nc1cnn(C)c1)-c1ccc(Cl)nc1 Show InChI InChI=1S/C20H22ClN7O2/c1-12(2)30-19-15-11-28(20(29)24-14-9-23-27(3)10-14)7-6-16(15)25-18(26-19)13-4-5-17(21)22-8-13/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM172419 (US9090618, ZA42 | US9598411, Ref. No. ZA42) Show SMILES COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 Show InChI InChI=1S/C30H39N5O/c1-36-29-19-31-27(18-32-29)30-33-26-11-4-5-12-28(26)35(30)25-16-22-9-6-10-23(17-25)34(22)24-14-20-7-2-3-8-21(13-20)15-24/h4-5,11-12,18-25H,2-3,6-10,13-17H2,1H3/t20-,21+,22-,23+,24-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398011 (CHEMBL2180423 | US8492392, O-2) Show SMILES COCCOc1nc(nc2CCN(Cc12)C(=O)c1cnn2ccccc12)-c1ccc(Cl)nc1 Show InChI InChI=1S/C23H21ClN6O3/c1-32-10-11-33-22-17-14-29(23(31)16-13-26-30-8-3-2-4-19(16)30)9-7-18(17)27-21(28-22)15-5-6-20(24)25-12-15/h2-6,8,12-13H,7,9-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM172419 (US9090618, ZA42 | US9598411, Ref. No. ZA42) Show SMILES COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 Show InChI InChI=1S/C30H39N5O/c1-36-29-19-31-27(18-32-29)30-33-26-11-4-5-12-28(26)35(30)25-16-22-9-6-10-23(17-25)34(22)24-14-20-7-2-3-8-21(13-20)15-24/h4-5,11-12,18-25H,2-3,6-10,13-17H2,1H3/t20-,21+,22-,23+,24-,25+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	0.920	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398004 (CHEMBL2180401) Show SMILES COc1cccc2C(=O)N(CCc3nc4ccccc4c(=O)n3-c3ccc4cnn(C)c4c3)C(=O)c12 Show InChI InChI=1S/C27H21N5O4/c1-30-21-14-17(11-10-16(21)15-28-30)32-23(29-20-8-4-3-6-18(20)26(32)34)12-13-31-25(33)19-7-5-9-22(36-2)24(19)27(31)35/h3-11,14-15H,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240887 (CHEMBL4066731) Show SMILES Clc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)c1 Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50293031 (2-chloro-N6-(3-iodobenzyl)-5'-N-methylcarbamoylade...) Show SMILES CNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20ClIN6O5/c1-22-19(30)31-7-11-13(28)14(29)17(32-11)27-8-24-12-15(25-18(20)26-16(12)27)23-6-9-3-2-4-10(21)5-9/h2-5,8,11,13-14,17,28-29H,6-7H2,1H3,(H,22,30)(H,23,25,26)/t11-,13-,14-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM303064 (US9598447, Ref No. FF) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(O)=O Show InChI InChI=1S/C26H36N3O4P/c1-16-9-17-11-18(10-16)13-21(12-17)28-19-5-4-6-20(28)15-22(14-19)29-24-8-3-2-7-23(24)27-25(26(29)30)34(31,32)33/h2-3,7-8,16-22H,4-6,9-15H2,1H3,(H2,31,32,33)/t16-,17-,18+,19-,20+,21+,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...				US Patent US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50280765 (CHEMBL4160647) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C21H24ClNO5/c1-20(2,3)19(26)27-12-21(11-24)9-13(18(25)28-21)7-14-10-23(4)17-6-5-15(22)8-16(14)17/h5-8,10,24H,9,11-12H2,1-4H3/b13-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
PACAP (RAT)	BDBM82450 ([AcHis1]PACAP(1-27)) Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C145H228N40O40S/c1-17-77(10)116(182-111(195)68-158-122(204)96(49-51-112(196)197)168-138(220)108(70-187)180-134(216)105(163-82(15)190)65-87-67-155-72-159-87)142(224)177-104(61-83-29-19-18-20-30-83)136(218)185-117(81(14)189)143(225)178-106(66-113(198)199)135(217)181-109(71-188)139(221)176-103(64-86-40-46-90(193)47-41-86)133(215)179-107(69-186)137(219)167-95(35-28-57-157-145(153)154)128(210)174-101(62-84-36-42-88(191)43-37-84)131(213)166-94(34-27-56-156-144(151)152)126(208)164-91(31-21-24-53-146)124(206)169-97(48-50-110(149)194)129(211)170-98(52-58-226-16)123(205)161-80(13)121(203)183-114(75(6)7)140(222)171-93(33-23-26-55-148)125(207)165-92(32-22-25-54-147)127(209)175-102(63-85-38-44-89(192)45-39-85)132(214)173-100(60-74(4)5)130(212)162-78(11)119(201)160-79(12)120(202)184-115(76(8)9)141(223)172-99(118(150)200)59-73(2)3/h18-20,29-30,36-47,67,72-81,91-109,114-117,186-189,191-193H,17,21-28,31-35,48-66,68-71,146-148H2,1-16H3,(H2,149,194)(H2,150,200)(H,155,159)(H,158,204)(H,160,201)(H,161,205)(H,162,212)(H,163,190)(H,164,208)(H,165,207)(H,166,213)(H,167,219)(H,168,220)(H,169,206)(H,170,211)(H,171,222)(H,172,223)(H,173,214)(H,174,210)(H,175,209)(H,176,221)(H,177,224)(H,178,225)(H,179,215)(H,180,216)(H,181,217)(H,182,195)(H,183,203)(H,184,202)(H,185,218)(H,196,197)(H,198,199)(H4,151,152,156)(H4,153,154,157)/t77?,78-,79-,80-,81+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,114-,115-,116-,117-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by PDSP Ki Database									Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1002/cbic.201402512 BindingDB Entry DOI: 10.7270/Q2251GP3
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220366 (US9290488, B34a) Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(CC(O)=O)C2)c1=O Show InChI InChI=1S/C31H42N4O3/c1-19-9-20-11-21(10-19)13-25(12-20)34-23-5-4-6-24(34)16-26(15-23)35-28-8-3-2-7-27(28)32-30(31(35)38)33-17-22(18-33)14-29(36)37/h2-3,7-8,19-26H,4-6,9-18H2,1H3,(H,36,37)/t19-,20-,21+,23-,24+,25+,26+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	1.03	-51.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50280768 (CHEMBL4163130) Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1 Show InChI InChI=1S/C19H24O6/c1-18(2,3)17(22)24-12-19(11-20)10-14(16(21)25-19)9-13-5-7-15(23-4)8-6-13/h5-9,20H,10-12H2,1-4H3/b14-9+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells				J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG
					More data for this Ligand-Target Pair
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50280759 (CHEMBL4162516) Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1 Show InChI InChI=1S/C20H27NO5/c1-19(2,3)18(24)25-13-20(12-22)11-15(17(23)26-20)10-14-6-8-16(9-7-14)21(4)5/h6-10,22H,11-13H2,1-5H3/b15-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM172418 (US9090618, ZA41 | US9598411, Ref. No. ZA41) Show SMILES C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cnccn1 Show InChI InChI=1S/C29H37N5/c1-2-7-21-14-20(6-1)15-24(16-21)33-22-8-5-9-23(33)18-25(17-22)34-28-11-4-3-10-26(28)32-29(34)27-19-30-12-13-31-27/h3-4,10-13,19-25H,1-2,5-9,14-18H2/t20-,21+,22-,23+,24-,25+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	1.15	-51.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a fin...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM172418 (US9090618, ZA41 | US9598411, Ref. No. ZA41) Show SMILES C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cnccn1 Show InChI InChI=1S/C29H37N5/c1-2-7-21-14-20(6-1)15-24(16-21)33-22-8-5-9-23(33)18-25(17-22)34-28-11-4-3-10-26(28)32-29(34)27-19-30-12-13-31-27/h3-4,10-13,19-25H,1-2,5-9,14-18H2/t20-,21+,22-,23+,24-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50184825 (Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bth-D-Thr(PO3H...) Show SMILES C[C@@H](OP(O)(O)=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C63H86N13O16PS2/c1-34(68-58(83)44(69-37(4)77)18-11-13-27-66-52(79)22-10-9-21-50-54-47(33-95-50)73-63(88)75-54)56(81)67-35(2)57(82)71-46(31-41-32-94-49-20-8-7-17-42(41)49)60(85)74-53(36(3)92-93(89,90)91)62(87)76-28-14-12-19-48(76)61(86)72-45(59(84)70-43(55(65)80)25-26-51(64)78)30-38-23-24-39-15-5-6-16-40(39)29-38/h5-8,15-17,20,23-24,29,32,34-36,43-48,50,53-54H,9-14,18-19,21-22,25-28,30-31,33H2,1-4H3,(H2,64,78)(H2,65,80)(H,66,79)(H,67,81)(H,68,83)(H,69,77)(H,70,84)(H,71,82)(H,72,86)(H,74,85)(H2,73,75,88)(H2,89,90,91)/t34-,35-,36+,43-,44-,45-,46-,47-,48-,50-,53+,54-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of human Pin1 PPIase Activity by protease free PPIase assay				J Med Chem 49: 2147-50 (2006) Article DOI: 10.1021/jm060036n BindingDB Entry DOI: 10.7270/Q2S46RJP
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50414549 (CHEMBL563480) Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C19H16Cl2N4O2S/c1-2-25-8-9-27-15-7-6-11(10-14(15)25)17(26)22-19-24-23-18(28-19)16-12(20)4-3-5-13(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay				Bioorg Med Chem Lett 19: 4292-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.074 BindingDB Entry DOI: 10.7270/Q2SQ90DS
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50414547 (CHEMBL558644) Show SMILES CN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C18H14Cl2N4O2S/c1-24-7-8-26-14-6-5-10(9-13(14)24)16(25)21-18-23-22-17(27-18)15-11(19)3-2-4-12(15)20/h2-6,9H,7-8H2,1H3,(H,21,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay				Bioorg Med Chem Lett 19: 4292-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.074 BindingDB Entry DOI: 10.7270/Q2SQ90DS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50398494 (CHEMBL2177429) Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ uptake incubated for 5 mins by liquid sc...				Bioorg Med Chem Lett 26: 3603-7 (2016) Article DOI: 10.1016/j.bmcl.2016.06.010 BindingDB Entry DOI: 10.7270/Q2QC05FT
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220379 (US9290488, L29b) Show SMILES OC(=O)CC1CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O Show InChI InChI=1S/C31H42N4O3/c36-29(37)15-22-18-33(19-22)30-31(38)35(28-11-4-3-10-27(28)32-30)26-16-23-8-5-9-24(17-26)34(23)25-13-20-6-1-2-7-21(12-20)14-25/h3-4,10-11,20-26H,1-2,5-9,12-19H2,(H,36,37)/t20-,21+,23-,24+,25-,26+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	1.32	-50.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma LP US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair

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