Compile Data Set for Download or QSAR

Found 6199 hits with Last Name = 'rich' and Initial = 's'   

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
Neurotensin receptor type 1 (MOUSE)	BDBM50240845 ((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...) Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Binding affinity to NTR1 in mouse brain membrane				Bioorg Med Chem Lett 18: 2013-8 (2008) Article DOI: 10.1016/j.bmcl.2008.01.110 BindingDB Entry DOI: 10.7270/Q2HM5994
					More data for this Ligand-Target Pair
Apelin (Homo sapiens (Human))	BDBM50009575 (CHEMBL3234446) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis				J Med Chem 57: 2908-19 (2014) Article DOI: 10.1021/jm401789v BindingDB Entry DOI: 10.7270/Q21J9C9F
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0558	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183152 (CHEMBL206580 | N-(4-(trifluoromethyl)benzyl)-N-iso...) Show SMILES CC(C)CN(Cc1ccc(cc1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-7-9-21-10-8-16)12-14-3-5-15(6-4-14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194072 (CHEMBL220476 | syn-7-(6-chloro-pyridin-3-yl)-2-aza...) Show SMILES Clc1ccc(cn1)C1C2CCC1NC2 |THB:4:7:10.9:13.12| Show InChI InChI=1S/C11H13ClN2/c12-10-4-2-8(6-14-10)11-7-1-3-9(11)13-5-7/h2,4,6-7,9,11,13H,1,3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0785	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085734 (CHEMBL407628 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C62H87ClN20O14/c1-5-38(73-33(4)84)53(89)79-43(24-34-12-14-36(63)15-13-34)57(93)80-44(25-35-9-6-19-67-28-35)58(94)81-46-27-50(86)71-30-47(51(64)87)82-60(96)48-11-8-22-83(48)61(97)41-18-21-69-52(88)45(26-37-29-68-31-72-37)74-49(85)17-16-40(76-59(46)95)55(91)75-39(10-7-20-70-62(65)66)54(90)78-42(23-32(2)3)56(92)77-41/h6,9,12-15,19,28-29,31-32,38-48H,5,7-8,10-11,16-18,20-27,30H2,1-4H3,(H2,64,87)(H,68,72)(H,69,88)(H,71,86)(H,73,84)(H,74,85)(H,75,91)(H,76,95)(H,77,92)(H,78,90)(H,79,89)(H,80,93)(H,81,94)(H,82,96)(H4,65,66,70)/t38-,39-,40-,41?,42+,43-,44-,45+,46-,47?,48-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis				J Med Chem 59: 2005-24 (2016) Article DOI: 10.1021/acs.jmedchem.5b01633 BindingDB Entry DOI: 10.7270/Q2KS6TDD
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085756 (CHEMBL439532 | cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D...) Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C68H91ClN16O15/c1-37(2)29-49(61(94)79-48(14-9-27-74-68(71)72)67(100)85-28-10-15-55(85)66(99)76-38(3)58(70)91)80-63(96)52(33-42-16-21-43-11-5-6-12-44(43)30-42)82-62(95)51(32-41-19-24-46(88)25-20-41)83-65(98)54(36-86)84-60(93)47-13-7-8-26-73-59(92)50(31-40-17-22-45(69)23-18-40)81-64(97)53(77-39(4)87)34-56(89)75-35-57(90)78-47/h5-6,11-12,16-25,30,37-38,47-55,86,88H,7-10,13-15,26-29,31-36H2,1-4H3,(H2,70,91)(H,73,92)(H,75,89)(H,76,99)(H,77,87)(H,78,90)(H,79,94)(H,80,96)(H,81,97)(H,82,95)(H,83,98)(H,84,93)(H4,71,72,74)/t38?,47-,48+,49-,50-,51+,52?,53?,54+,55-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085715 (CHEMBL266300 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)CNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C58H83ClN18O14/c1-5-35(68-31(4)78)49(83)73-40(24-32-12-14-34(59)15-13-32)53(87)74-41(25-33-9-6-19-63-27-33)54(88)75-42-26-46(80)66-28-43(48(60)82)76-56(90)44-11-8-22-77(44)57(91)38-18-21-64-47(81)29-67-45(79)17-16-37(70-55(42)89)51(85)69-36(10-7-20-65-58(61)62)50(84)72-39(23-30(2)3)52(86)71-38/h6,9,12-15,19,27,30,35-44H,5,7-8,10-11,16-18,20-26,28-29H2,1-4H3,(H2,60,82)(H,64,81)(H,66,80)(H,67,79)(H,68,78)(H,69,85)(H,70,89)(H,71,86)(H,72,84)(H,73,83)(H,74,87)(H,75,88)(H,76,90)(H4,61,62,65)/t35-,36-,37-,38?,39+,40-,41-,42-,43?,44-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391708 (CHEMBL1767136) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085742 (CHEMBL414350 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...) Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C68H91ClN16O15/c1-37(2)30-49(61(94)79-48(13-8-27-75-68(71)72)67(100)85-29-9-14-55(85)66(99)76-38(3)58(70)91)80-63(96)52(34-42-15-20-43-10-5-6-11-44(43)31-42)82-62(95)51(33-41-18-23-46(88)24-19-41)83-65(98)54(36-86)84-60(93)47-12-7-26-74-59(92)50(32-40-16-21-45(69)22-17-40)81-64(97)53(77-39(4)87)35-57(90)73-28-25-56(89)78-47/h5-6,10-11,15-24,31,37-38,47-55,86,88H,7-9,12-14,25-30,32-36H2,1-4H3,(H2,70,91)(H,73,90)(H,74,92)(H,76,99)(H,77,87)(H,78,89)(H,79,94)(H,80,96)(H,81,97)(H,82,95)(H,83,98)(H,84,93)(H4,71,72,75)/t38?,47-,48+,49-,50-,51+,52?,53?,54+,55-/m1/s1	KEGG UniProtKB/SwissProt 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
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085761 (CHEMBL437038 | cyclo(1,1'-3)Ac-D-Asp (Gaba)-D-Cpa-...) Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C67H89ClN16O15/c1-36(2)28-47(59(92)78-46(12-7-26-73-67(70)71)66(99)84-27-9-13-54(84)65(98)75-37(3)57(69)90)79-61(94)50(32-41-15-20-42-10-5-6-11-43(42)29-41)81-60(93)49(31-40-18-23-45(87)24-19-40)82-64(97)53(35-85)83-63(96)52-34-74-58(91)48(30-39-16-21-44(68)22-17-39)80-62(95)51(76-38(4)86)33-56(89)72-25-8-14-55(88)77-52/h5-6,10-11,15-24,29,36-37,46-54,85,87H,7-9,12-14,25-28,30-35H2,1-4H3,(H2,69,90)(H,72,89)(H,74,91)(H,75,98)(H,76,86)(H,77,88)(H,78,92)(H,79,94)(H,80,95)(H,81,93)(H,82,97)(H,83,96)(H4,70,71,73)/t37?,46-,47+,48+,49-,50?,51?,52+,53-,54+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	<0.200	<-55.4	1	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085718 (CHEMBL410820 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C65H88ClN17O15/c1-5-41(73-36(4)84)56(89)79-47(30-38-17-19-40(66)20-18-38)60(93)80-48(31-39-14-9-24-69-33-39)61(94)81-49-32-53(86)72-34-50(54(67)87)82-63(96)51-16-11-27-83(51)64(97)44-23-26-70-55(88)46(29-37-12-7-6-8-13-37)74-52(85)22-21-43(76-62(49)95)58(91)75-42(15-10-25-71-65(68)98)57(90)78-45(28-35(2)3)59(92)77-44/h6-9,12-14,17-20,24,33,35,41-51H,5,10-11,15-16,21-23,25-32,34H2,1-4H3,(H2,67,87)(H,70,88)(H,72,86)(H,73,84)(H,74,85)(H,75,91)(H,76,95)(H,77,92)(H,78,90)(H,79,89)(H,80,93)(H,81,94)(H,82,96)(H3,68,71,98)/t41-,42-,43-,44?,45+,46+,47-,48-,49-,50?,51-/m0/s1	KEGG UniProtKB/SwissProt 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
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085719 (CHEMBL438543 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)CN(C)C(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C59H85ClN18O14/c1-6-36(68-32(4)79)50(84)73-41(25-33-13-15-35(60)16-14-33)54(88)74-42(26-34-10-7-20-64-28-34)55(89)75-43-27-46(80)67-29-44(49(61)83)76-57(91)45-12-9-23-78(45)58(92)39-19-22-65-47(81)30-77(5)48(82)18-17-38(70-56(43)90)52(86)69-37(11-8-21-66-59(62)63)51(85)72-40(24-31(2)3)53(87)71-39/h7,10,13-16,20,28,31,36-45H,6,8-9,11-12,17-19,21-27,29-30H2,1-5H3,(H2,61,83)(H,65,81)(H,67,80)(H,68,79)(H,69,86)(H,70,90)(H,71,87)(H,72,85)(H,73,84)(H,74,88)(H,75,89)(H,76,91)(H4,62,63,66)/t36-,37-,38-,39?,40+,41-,42-,43-,44?,45-/m0/s1	KEGG UniProtKB/SwissProt 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
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085710 (CHEMBL414756 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C62H92ClN21O14/c1-5-37(74-33(4)85)52(90)80-43(27-34-14-16-36(63)17-15-34)56(94)81-44(28-35-10-6-21-69-30-35)57(95)82-45-29-49(87)73-31-46(50(64)88)83-59(97)47-13-9-25-84(47)60(98)41-20-24-70-51(89)38(11-7-22-71-61(65)66)75-48(86)19-18-40(77-58(45)96)54(92)76-39(12-8-23-72-62(67)68)53(91)79-42(26-32(2)3)55(93)78-41/h6,10,14-17,21,30,32,37-47H,5,7-9,11-13,18-20,22-29,31H2,1-4H3,(H2,64,88)(H,70,89)(H,73,87)(H,74,85)(H,75,86)(H,76,92)(H,77,96)(H,78,93)(H,79,91)(H,80,90)(H,81,94)(H,82,95)(H,83,97)(H4,65,66,71)(H4,67,68,72)/t37-,38+,39-,40-,41?,42+,43-,44-,45-,46?,47-/m0/s1	KEGG UniProtKB/SwissProt 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
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085737 (CHEMBL438597 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C65H88Cl2N18O14/c1-5-41(75-35(4)86)56(91)81-47(29-37-14-18-40(67)19-15-37)60(95)82-48(30-38-9-6-23-71-32-38)61(96)83-49-31-53(88)74-33-50(54(68)89)84-63(98)51-11-8-26-85(51)64(99)44-22-25-72-55(90)46(28-36-12-16-39(66)17-13-36)76-52(87)21-20-43(78-62(49)97)58(93)77-42(10-7-24-73-65(69)70)57(92)80-45(27-34(2)3)59(94)79-44/h6,9,12-19,23,32,34,41-51H,5,7-8,10-11,20-22,24-31,33H2,1-4H3,(H2,68,89)(H,72,90)(H,74,88)(H,75,86)(H,76,87)(H,77,93)(H,78,97)(H,79,94)(H,80,92)(H,81,91)(H,82,95)(H,83,96)(H,84,98)(H4,69,70,73)/t41-,42-,43-,44?,45+,46+,47-,48-,49-,50?,51-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085720 (CHEMBL404930 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C65H89ClN18O14/c1-5-41(74-36(4)85)56(90)80-47(30-38-17-19-40(66)20-18-38)60(94)81-48(31-39-14-9-24-70-33-39)61(95)82-49-32-53(87)73-34-50(54(67)88)83-63(97)51-16-11-27-84(51)64(98)44-23-26-71-55(89)46(29-37-12-7-6-8-13-37)75-52(86)22-21-43(77-62(49)96)58(92)76-42(15-10-25-72-65(68)69)57(91)79-45(28-35(2)3)59(93)78-44/h6-9,12-14,17-20,24,33,35,41-51H,5,10-11,15-16,21-23,25-32,34H2,1-4H3,(H2,67,88)(H,71,89)(H,73,87)(H,74,85)(H,75,86)(H,76,92)(H,77,96)(H,78,93)(H,79,91)(H,80,90)(H,81,94)(H,82,95)(H,83,97)(H4,68,69,72)/t41-,42-,43-,44?,45+,46-,47-,48-,49-,50?,51-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50341447 (4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...) Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation prox...				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391698 (CHEMBL2146801) Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r| Show InChI InChI=1S/C22H25ClN4O2/c1-29-12-11-26-10-2-3-18(26)15-27-22(28)19-8-9-24-14-20(19)21(25-27)13-16-4-6-17(23)7-5-16/h4-9,14,18H,2-3,10-13,15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183124 (CHEMBL381373 | N-(3-(trifluoromethyl)benzyl)-N-iso...) Show SMILES CC(C)CN(Cc1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-6-8-21-9-7-16)12-14-4-3-5-15(10-14)17(18,19)20/h3-5,10,13,16,21H,6-9,11-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085732 (CHEMBL406094 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCCNC(=O)C(Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C66H91ClN18O14/c1-5-42(75-37(4)86)57(91)81-48(31-39-19-21-41(67)22-20-39)61(95)82-49(32-40-15-9-25-71-34-40)62(96)83-50-33-54(88)74-35-51(55(68)89)84-64(98)52-18-12-28-85(52)65(99)45-17-11-26-72-56(90)47(30-38-13-7-6-8-14-38)76-53(87)24-23-44(78-63(50)97)59(93)77-43(16-10-27-73-66(69)70)58(92)80-46(29-36(2)3)60(94)79-45/h6-9,13-15,19-22,25,34,36,42-52H,5,10-12,16-18,23-24,26-33,35H2,1-4H3,(H2,68,89)(H,72,90)(H,74,88)(H,75,86)(H,76,87)(H,77,93)(H,78,97)(H,79,94)(H,80,92)(H,81,91)(H,82,95)(H,83,96)(H,84,98)(H4,69,70,73)/t42-,43-,44-,45?,46+,47?,48-,49-,50-,51?,52-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183122 (4-((isobutyl(piperidin-4-yl)amino)methyl)benzonitr...) Show SMILES CC(C)CN(Cc1ccc(cc1)C#N)C1CCNCC1 Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-7-9-19-10-8-17)13-16-5-3-15(11-18)4-6-16/h3-6,14,17,19H,7-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085735 (CHEMBL412681 | Cyclo (5-8) [Ac-D Nal, D Cpa, D Pal...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)Nc2ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O)cc2 Show InChI InChI=1S/C61H83ClN16O14/c1-6-40(69-34(5)79)52(84)74-44(27-35-13-17-38(62)18-14-35)56(88)75-45(29-37-10-7-23-66-31-37)57(89)76-46(30-50(81)82)58(90)72-42-21-22-49(80)70-39-19-15-36(16-20-39)28-47(60(92)78-25-9-12-48(78)59(91)68-33(4)51(63)83)77-55(87)43(26-32(2)3)73-53(85)41(71-54(42)86)11-8-24-67-61(64)65/h7,10,13-20,23,31-33,40-48H,6,8-9,11-12,21-22,24-30H2,1-5H3,(H2,63,83)(H,68,91)(H,69,79)(H,70,80)(H,71,86)(H,72,90)(H,73,85)(H,74,84)(H,75,88)(H,76,89)(H,77,87)(H,81,82)(H4,64,65,67)/t33-,40-,41+,42+,43-,44-,45-,46-,47-,48+/m0/s1	KEGG UniProtKB/SwissProt 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
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183121 (CHEMBL441358 | N-(4-fluoro-2-(trifluoromethyl)benz...) Show SMILES CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H24F4N2/c1-12(2)10-23(15-5-7-22-8-6-15)11-13-3-4-14(18)9-16(13)17(19,20)21/h3-4,9,12,15,22H,5-8,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085753 (CHEMBL409996 | cyclo(1-3)Ac-D-Glu-D-Cpa-D-Dbu-Ser-...) Show SMILES CCCCC1CC(NC(=O)CCC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C69H94ClN15O14/c1-6-7-14-47-36-55(78-58(89)28-27-49(76-40(5)87)60(91)81-52(61(92)77-47)33-41-18-23-46(70)24-19-41)65(96)84-56(37-86)66(97)83-53(34-42-20-25-48(88)26-21-42)63(94)82-54(35-43-17-22-44-12-8-9-13-45(44)32-43)64(95)80-51(31-38(2)3)62(93)79-50(15-10-29-74-69(72)73)68(99)85-30-11-16-57(85)67(98)75-39(4)59(71)90/h8-9,12-13,17-26,32,38-39,47,49-57,86,88H,6-7,10-11,14-16,27-31,33-37H2,1-5H3,(H2,71,90)(H,75,98)(H,76,87)(H,77,92)(H,78,89)(H,79,93)(H,80,95)(H,81,91)(H,82,94)(H,83,97)(H,84,96)(H4,72,73,74)/t39?,47?,49?,50-,51+,52+,53-,54?,55?,56-,57+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391702 (CHEMBL2146809) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)17-5-2-10-22-19(17)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085757 (CHEMBL427745 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...) Show SMILES CCCCC1C[C@@H](NC(=O)CCNC(=O)CC(NC(C)=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C71H97ClN16O15/c1-6-7-14-48-36-55(81-59(92)27-29-76-60(93)37-56(79-41(5)90)67(100)84-52(62(95)80-48)33-42-18-23-47(72)24-19-42)66(99)87-57(38-89)68(101)86-53(34-43-20-25-49(91)26-21-43)64(97)85-54(35-44-17-22-45-12-8-9-13-46(45)32-44)65(98)83-51(31-39(2)3)63(96)82-50(15-10-28-77-71(74)75)70(103)88-30-11-16-58(88)69(102)78-40(4)61(73)94/h8-9,12-13,17-26,32,39-40,48,50-58,89,91H,6-7,10-11,14-16,27-31,33-38H2,1-5H3,(H2,73,94)(H,76,93)(H,78,102)(H,79,90)(H,80,95)(H,81,92)(H,82,96)(H,83,98)(H,84,100)(H,85,97)(H,86,101)(H,87,99)(H4,74,75,77)/t40?,48?,50-,51+,52+,53-,54?,55+,56?,57-,58+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085711 (CHEMBL412682 | DiCyclo (4-10/5-8) [Ac-D Nal, D Cpa...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C61H86ClN17O13/c1-5-38(70-33(4)80)52(84)75-44(27-34-17-19-36(62)20-18-34)56(88)76-45(28-35-30-68-39-13-7-6-12-37(35)39)57(89)77-46-29-50(82)69-31-47(51(63)83)78-59(91)48-16-11-25-79(48)60(92)42-14-8-9-23-66-49(81)22-21-41(72-58(46)90)54(86)71-40(15-10-24-67-61(64)65)53(85)74-43(26-32(2)3)55(87)73-42/h6-7,12-13,17-20,30,32,38,40-48,68H,5,8-11,14-16,21-29,31H2,1-4H3,(H2,63,83)(H,66,81)(H,69,82)(H,70,80)(H,71,86)(H,72,90)(H,73,87)(H,74,85)(H,75,84)(H,76,88)(H,77,89)(H,78,91)(H4,64,65,67)/t38-,40+,41-,42+,43-,44-,45-,46-,47?,48-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085704 (CHEMBL440436 | Cyclo (4-10) [Ac-D Nal, D Cpa, D Pa...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1CC(=O)N(CC(N)=O)C(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCC(O)=O)NC1=O Show InChI InChI=1S/C57H83ClN16O14/c1-5-36(65-32(4)75)48(80)70-41(26-33-15-17-35(58)18-16-33)52(84)71-42(27-34-11-8-22-63-29-34)53(85)72-43-28-46(77)74(30-45(60)76)56(88)44-14-10-24-73(44)55(87)39(12-6-7-21-59)68-51(83)40(25-31(2)3)69-49(81)37(13-9-23-64-57(61)62)66-50(82)38(67-54(43)86)19-20-47(78)79/h8,11,15-18,22,29,31,36-44H,5-7,9-10,12-14,19-21,23-28,30,59H2,1-4H3,(H2,60,76)(H,65,75)(H,66,82)(H,67,86)(H,68,83)(H,69,81)(H,70,80)(H,71,84)(H,72,85)(H,78,79)(H4,61,62,64)/t36-,37-,38+,39-,40+,41-,42-,43+,44+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085746 (CHEMBL405223 | cyclo(1,1'-3)Ac-D-Asp (Gly)-D-Cpa-D...) Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C67H89ClN16O15/c1-36(2)28-48(60(93)78-47(13-8-26-73-67(70)71)66(99)84-27-9-14-54(84)65(98)75-37(3)57(69)90)79-62(95)51(32-41-15-20-42-10-5-6-11-43(42)29-41)81-61(94)50(31-40-18-23-45(87)24-19-40)82-64(97)53(35-85)83-59(92)46-12-7-25-72-58(91)49(30-39-16-21-44(68)22-17-39)80-63(96)52(76-38(4)86)33-55(88)74-34-56(89)77-46/h5-6,10-11,15-24,29,36-37,46-54,85,87H,7-9,12-14,25-28,30-35H2,1-4H3,(H2,69,90)(H,72,91)(H,74,88)(H,75,98)(H,76,86)(H,77,89)(H,78,93)(H,79,95)(H,80,96)(H,81,94)(H,82,97)(H,83,92)(H4,70,71,73)/t37?,46-,47+,48-,49-,50+,51?,52?,53+,54-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194070 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2 |THB:4:7:14:12.11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194070 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2 |THB:4:7:14:12.11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391707 (CHEMBL2146805) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)17-8-9-22-12-18(17)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50294115 (CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...) Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1 Show InChI InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO cells				J Med Chem 52: 4923-35 (2009) Article DOI: 10.1021/jm900690y BindingDB Entry DOI: 10.7270/Q2PK0G5Q
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085751 (CHEMBL437230 | cyclo(1,1'-3)Ac-D-Asp (beta-Ala)-D-...) Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)NCCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C66H87ClN16O15/c1-35(2)27-46(58(91)77-45(11-7-24-72-66(69)70)65(98)83-26-8-12-53(83)64(97)74-36(3)56(68)89)78-60(93)49(31-40-13-18-41-9-5-6-10-42(41)28-40)80-59(92)48(30-39-16-21-44(86)22-17-39)81-63(96)52(34-84)82-62(95)51-33-73-57(90)47(29-38-14-19-43(67)20-15-38)79-61(94)50(75-37(4)85)32-55(88)71-25-23-54(87)76-51/h5-6,9-10,13-22,28,35-36,45-53,84,86H,7-8,11-12,23-27,29-34H2,1-4H3,(H2,68,89)(H,71,88)(H,73,90)(H,74,97)(H,75,85)(H,76,87)(H,77,91)(H,78,93)(H,79,94)(H,80,92)(H,81,96)(H,82,95)(H4,69,70,72)/t36?,45-,46+,47+,48-,49?,50?,51+,52-,53+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085722 (CHEMBL413896 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H]2CCCN2C(=O)C2CCNC(=O)CNC(=O)C[C@@H](NC1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C57H81ClN18O14/c1-5-34(67-30(4)77)48(82)71-38(22-31-12-14-33(58)15-13-31)51(85)72-39(23-32-9-6-17-62-26-32)52(86)73-41-24-44(78)65-27-42(47(59)81)75-55(89)43-11-8-20-76(43)56(90)36-16-19-63-46(80)28-66-45(79)25-40(74-54(41)88)53(87)68-35(10-7-18-64-57(60)61)49(83)70-37(21-29(2)3)50(84)69-36/h6,9,12-15,17,26,29,34-43H,5,7-8,10-11,16,18-25,27-28H2,1-4H3,(H2,59,81)(H,63,80)(H,65,78)(H,66,79)(H,67,77)(H,68,87)(H,69,84)(H,70,83)(H,71,82)(H,72,85)(H,73,86)(H,74,88)(H,75,89)(H4,60,61,64)/t34-,35+,36?,37+,38-,39-,40+,41+,42?,43+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391699 (CHEMBL2146484) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)19-17(5-2-10-22-19)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085730 (CHEMBL407074 | Cyclo (4-10) [Ac-D Nal, D Fpa, D Tr...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C61H88FN17O14/c1-5-38(70-33(4)80)52(85)75-44(27-34-17-19-36(62)20-18-34)56(89)76-45(28-35-30-68-39-13-7-6-12-37(35)39)57(90)77-46-29-49(81)69-31-47(51(64)84)78-59(92)48-16-11-25-79(48)60(93)42(14-8-9-23-63)73-55(88)43(26-32(2)3)74-53(86)40(15-10-24-67-61(65)66)71-54(87)41(72-58(46)91)21-22-50(82)83/h6-7,12-13,17-20,30,32,38,40-48,68H,5,8-11,14-16,21-29,31,63H2,1-4H3,(H2,64,84)(H,69,81)(H,70,80)(H,71,87)(H,72,91)(H,73,88)(H,74,86)(H,75,85)(H,76,89)(H,77,90)(H,78,92)(H,82,83)(H4,65,66,67)/t38-,40+,41-,42+,43-,44-,45-,46-,47?,48-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085729 (CHEMBL438902 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...) Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)CCNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O Show InChI InChI=1S/C58H83ClN18O14/c1-5-35(68-31(4)78)49(83)72-39(24-32-12-14-34(59)15-13-32)52(86)73-40(25-33-9-6-18-63-28-33)53(87)74-42-27-47(81)67-29-43(48(60)82)76-56(90)44-11-8-22-77(44)57(91)37-16-20-64-45(79)17-21-65-46(80)26-41(75-55(42)89)54(88)69-36(10-7-19-66-58(61)62)50(84)71-38(23-30(2)3)51(85)70-37/h6,9,12-15,18,28,30,35-44H,5,7-8,10-11,16-17,19-27,29H2,1-4H3,(H2,60,82)(H,64,79)(H,65,80)(H,67,81)(H,68,78)(H,69,88)(H,70,85)(H,71,84)(H,72,83)(H,73,86)(H,74,87)(H,75,89)(H,76,90)(H4,61,62,66)/t35-,36-,37?,38+,39-,40-,41-,42-,43?,44-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 784-96 (2000) BindingDB Entry DOI: 10.7270/Q2J38RS2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183126 (CHEMBL207374 | N-(2,4-dimethylbenzyl)-N-isobutylpi...) Show SMILES CC(C)CN(Cc1ccc(C)cc1C)C1CCNCC1 Show InChI InChI=1S/C18H30N2/c1-14(2)12-20(18-7-9-19-10-8-18)13-17-6-5-15(3)11-16(17)4/h5-6,11,14,18-19H,7-10,12-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391697 (CHEMBL2146806) Show SMILES CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r| Show InChI InChI=1S/C23H27ClN4O/c1-2-3-12-27-13-4-5-19(27)16-28-23(29)20-10-11-25-15-21(20)22(26-28)14-17-6-8-18(24)9-7-17/h6-11,15,19H,2-5,12-14,16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183154 (CHEMBL207067 | CHEMBL207214 | N-(4-fluoro-2-(trifl...) Show SMILES Fc1ccc(CN(CC2CC2)C2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C17H22F4N2/c18-14-4-3-13(16(9-14)17(19,20)21)11-23(10-12-1-2-12)15-5-7-22-8-6-15/h3-4,9,12,15,22H,1-2,5-8,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183177 (4-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...) Show SMILES Fc1ccc(CN(CCCC#N)C2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C17H21F4N3/c18-14-4-3-13(16(11-14)17(19,20)21)12-24(10-2-1-7-22)15-5-8-23-9-6-15/h3-4,11,15,23H,1-2,5-6,8-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183141 (3-((4-fluoro-2-(trifluoromethyl)benzyl)(piperidin-...) Show SMILES Fc1ccc(CN(CCC#N)C2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C16H19F4N3/c17-13-3-2-12(15(10-13)16(18,19)20)11-23(9-1-6-21)14-4-7-22-8-5-14/h2-3,10,14,22H,1,4-5,7-9,11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50085748 (CHEMBL407186 | cyclo(1-3)Ac-D-Glu-D-Cpa-D-Lys-Ser-...) Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CCC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C67H90ClN15O14/c1-37(2)31-50(61(92)77-49(14-9-29-73-67(70)71)66(97)83-30-10-15-55(83)65(96)74-38(3)57(69)88)78-63(94)53(35-42-16-21-43-11-5-6-12-44(43)32-42)80-62(93)52(34-41-19-24-46(86)25-20-41)81-64(95)54(36-84)82-59(90)47-13-7-8-28-72-58(89)51(33-40-17-22-45(68)23-18-40)79-60(91)48(75-39(4)85)26-27-56(87)76-47/h5-6,11-12,16-25,32,37-38,47-55,84,86H,7-10,13-15,26-31,33-36H2,1-4H3,(H2,69,88)(H,72,89)(H,74,96)(H,75,85)(H,76,87)(H,77,92)(H,78,94)(H,79,91)(H,80,93)(H,81,95)(H,82,90)(H4,70,71,73)/t38?,47-,48?,49+,50-,51-,52+,53?,54+,55-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183136 (CHEMBL208533 | N-(2-chloro-3-(trifluoromethyl)benz...) Show SMILES CC(C)CN(Cc1cccc(c1Cl)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C17H24ClF3N2/c1-12(2)10-23(14-6-8-22-9-7-14)11-13-4-3-5-15(16(13)18)17(19,20)21/h3-5,12,14,22H,6-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183137 (1-(2-cyclohexyl-4-methylpentyl)-3-ethynylbenzene f...) Show SMILES CC(C)CN(Cc1cccc(c1)C#N)C1CCNCC1 Show InChI InChI=1S/C17H25N3/c1-14(2)12-20(17-6-8-19-9-7-17)13-16-5-3-4-15(10-16)11-18/h3-5,10,14,17,19H,6-9,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				Bioorg Med Chem Lett 16: 2714-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50263386 (CHEMBL443967 | H-Arg-N-Me-Arg-Pro-Tyr-Ile-Leu-OH) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C39H66N12O8/c1-6-23(4)31(34(55)48-28(37(58)59)20-22(2)3)49-32(53)27(21-24-13-15-25(52)16-14-24)47-33(54)29-12-9-19-51(29)36(57)30(11-8-18-46-39(43)44)50(5)35(56)26(40)10-7-17-45-38(41)42/h13-16,22-23,26-31,52H,6-12,17-21,40H2,1-5H3,(H,47,54)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,26-,27-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]NT(8-13) from wild type human NTR1 expressed in HEK293 cells				Bioorg Med Chem 16: 9359-68 (2008) Article DOI: 10.1016/j.bmc.2008.08.051 BindingDB Entry DOI: 10.7270/Q2VT1T0Z
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391710 (CHEMBL2146803) Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C23H26ClN3O2/c1-29-14-13-26-12-4-5-19(26)16-27-23(28)21-7-3-2-6-20(21)22(25-27)15-17-8-10-18(24)11-9-17/h2-3,6-11,19H,4-5,12-16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 6199 total )  |  Next  |  Last  >>

Jump to: