Compile Data Set for Download or QSAR

Found 479 hits with Last Name = 'littmann' and Initial = 't'   

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 (Homo sapiens (Human))	BDBM50048908 (CHEMBL415788) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50048908 (CHEMBL415788) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to human neurotensin receptor 1				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50214615 (CHEBI:64177 | Clobenpropit) Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG 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
University of Regensburg Curated by ChEMBL					Assay Description Displacement of clobenpropit-BODIPY-630/650 from recombinant human NLuc-fused H3R expressed in HEK293T cells by Nano-BRET assay				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50214615 (CHEBI:64177 | Clobenpropit) Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	0.339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate b...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50214615 (CHEBI:64177 | Clobenpropit) Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes co...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509512 (CHEMBL4579623) Show SMILES [3H]CC([3H])C(=O)NCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H78N14O10/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70)/t28-,31-,32-,33-,34-,35-,37-/m0/s1/i2T,7T/t7?,28-,31-,32-,33-,34-,35-,37-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to human neurotensin receptor 1				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50538682 (CHEMBL4597218) Show SMILES CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate b...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Neurotensin receptor type 2 (Homo sapiens (Human))	BDBM50048908 (CHEMBL415788) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=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-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509515 (CHEMBL4463399) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C64H97N15O11.4C2HF3O2/c1-9-42(4)55(59(84)74-53(61(86)87)37-41(2)3)75-57(82)52(40-46-22-26-49(80)27-23-46)73-58(83)54-19-14-31-79(54)60(85)51(18-13-28-69-62(66)67)72-56(81)50(65)17-12-29-70-63(68)76-64(88)71-30-33-89-35-36-90-34-32-78-43(5)38-47(39-44(78)6)16-11-10-15-45-20-24-48(25-21-45)77(7)8;4*3-2(4,5)1(6)7/h10-11,15-16,20-27,38-39,41-42,50-55H,9,12-14,17-19,28-37,40,65H2,1-8H3,(H13-,66,67,68,69,70,71,72,73,74,75,76,80,81,82,83,84,86,87,88);4*(H,6,7)/t42-,50-,51-,52-,53-,54-,55-;;;;/m0..../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.759	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50538678 (CHEMBL4642520) Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1 Show InChI InChI=1S/C27H35N4/c1-22-18-25(11-8-7-10-24-13-15-27(16-14-24)30(3)4)19-23(2)31(22)17-9-5-6-12-26-20-28-21-29-26/h7-8,10-11,13-16,18-21H,5-6,9,12,17H2,1-4H3,(H,28,29)/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Neurotensin receptor type 2 (Homo sapiens (Human))	BDBM50509508 (CHEMBL4534768) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99| Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50538682 (CHEMBL4597218) Show SMILES CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate b...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM50538682 (CHEMBL4597218) Show SMILES CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of UR-DEBa242 binding to mouse recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate b...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50130880 (CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...) 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](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to human neurotensin receptor 1				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 2 (Homo sapiens (Human))	BDBM50509510 (CHEMBL4564746) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:89| Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509511 (CHEMBL4457798) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83| Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509515 (CHEMBL4463399) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C64H97N15O11.4C2HF3O2/c1-9-42(4)55(59(84)74-53(61(86)87)37-41(2)3)75-57(82)52(40-46-22-26-49(80)27-23-46)73-58(83)54-19-14-31-79(54)60(85)51(18-13-28-69-62(66)67)72-56(81)50(65)17-12-29-70-63(68)76-64(88)71-30-33-89-35-36-90-34-32-78-43(5)38-47(39-44(78)6)16-11-10-15-45-20-24-48(25-21-45)77(7)8;4*3-2(4,5)1(6)7/h10-11,15-16,20-27,38-39,41-42,50-55H,9,12-14,17-19,28-37,40,65H2,1-8H3,(H13-,66,67,68,69,70,71,72,73,74,75,76,80,81,82,83,84,86,87,88);4*(H,6,7)/t42-,50-,51-,52-,53-,54-,55-;;;;/m0..../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509511 (CHEMBL4457798) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83| Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509513 (CHEMBL4537266) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509513 (CHEMBL4537266) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509508 (CHEMBL4534768) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99| Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509514 (CHEMBL4584647) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:93| Show InChI InChI=1S/C80H120N16O15S.3C2HF3O2/c1-9-54(4)69(73(102)91-62(75(104)105)51-53(2)3)92-71(100)61(52-55-35-37-56(97)38-36-55)90-72(101)65-31-24-45-96(65)74(103)60(28-23-39-86-76(82)83)89-70(99)59(81)27-22-40-87-77(84)93-78(106)88-42-47-111-49-48-110-46-41-85-68(98)34-14-11-19-43-94-63-29-17-15-25-57(63)79(5,6)66(94)32-12-10-13-33-67-80(7,8)58-26-16-18-30-64(58)95(67)44-20-21-50-112(107,108)109;3*3-2(4,5)1(6)7/h10,12-13,15-18,25-26,29-30,32-33,35-38,53-54,59-62,65,69H,9,11,14,19-24,27-28,31,34,39-52,81H2,1-8H3,(H15-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109);3*(H,6,7)/t54-,59-,60-,61-,62-,65-,69-;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50538677 (CHEMBL4635634) Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1 Show InChI InChI=1S/C26H33N4/c1-21-17-24(10-6-5-9-23-12-14-26(15-13-23)29(3)4)18-22(2)30(21)16-8-7-11-25-19-27-20-28-25/h5-6,9-10,12-15,17-20H,7-8,11,16H2,1-4H3,(H,27,28)/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50214615 (CHEBI:64177 | Clobenpropit) Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant H3R expressed in human SK-N-MC cell membranes				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509508 (CHEMBL4534768) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99| Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509516 (CHEMBL4592541) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:81| Show InChI InChI=1S/C80H120N16O15S.3C2HF3O2/c1-9-54(4)69(73(102)91-62(75(104)105)51-53(2)3)92-71(100)61(52-55-35-37-56(97)38-36-55)90-72(101)65-31-24-45-96(65)74(103)60(89-70(99)59(81)27-22-39-86-76(82)83)28-23-40-87-77(84)93-78(106)88-42-47-111-49-48-110-46-41-85-68(98)34-14-11-19-43-94-63-29-17-15-25-57(63)79(5,6)66(94)32-12-10-13-33-67-80(7,8)58-26-16-18-30-64(58)95(67)44-20-21-50-112(107,108)109;3*3-2(4,5)1(6)7/h10,12-13,15-18,25-26,29-30,32-33,35-38,53-54,59-62,65,69H,9,11,14,19-24,27-28,31,34,39-52,81H2,1-8H3,(H15-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109);3*(H,6,7)/t54-,59-,60-,61-,62-,65-,69-;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50538682 (CHEMBL4597218) Show SMILES CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect ce...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Neurotensin receptor type 2 (Homo sapiens (Human))	BDBM50509513 (CHEMBL4537266) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509509 (CHEMBL4566971) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:75| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(89-70(99)59(81)24-20-37-86-76(82)83)25-21-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50509078 (CHEMBL4443126) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r| Show InChI InChI=1S/C14H25N5.2C2HF3O2/c1-14(2,3)10-17-13-16-7-5-12(18-13)19-8-6-11(9-19)15-4;2*3-2(4,5)1(6)7/h5,7,11,15H,6,8-10H2,1-4H3,(H,16,17,18);2*(H,6,7)/t11-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Neurotensin receptor type 2 (Homo sapiens (Human))	BDBM50509511 (CHEMBL4457798) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83| Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509510 (CHEMBL4564746) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:89| Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate b...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50170164 (Imbutamine) Show SMILES NCCCCc1c[nH]cn1 Show InChI InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect ce...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509514 (CHEMBL4584647) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:93| Show InChI InChI=1S/C80H120N16O15S.3C2HF3O2/c1-9-54(4)69(73(102)91-62(75(104)105)51-53(2)3)92-71(100)61(52-55-35-37-56(97)38-36-55)90-72(101)65-31-24-45-96(65)74(103)60(28-23-39-86-76(82)83)89-70(99)59(81)27-22-40-87-77(84)93-78(106)88-42-47-111-49-48-110-46-41-85-68(98)34-14-11-19-43-94-63-29-17-15-25-57(63)79(5,6)66(94)32-12-10-13-33-67-80(7,8)58-26-16-18-30-64(58)95(67)44-20-21-50-112(107,108)109;3*3-2(4,5)1(6)7/h10,12-13,15-18,25-26,29-30,32-33,35-38,53-54,59-62,65,69H,9,11,14,19-24,27-28,31,34,39-52,81H2,1-8H3,(H15-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109);3*(H,6,7)/t54-,59-,60-,61-,62-,65-,69-;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50538682 (CHEMBL4597218) Show SMILES CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from Galphai2/Gbeta1gamma2-coupled human recombinant H4R expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50509072 (CHEMBL4454158) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1 Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50509510 (CHEMBL4564746) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:89| Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Neurotensin receptor type 2 (Homo sapiens (Human))	BDBM50509516 (CHEMBL4592541) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:81| Show InChI InChI=1S/C80H120N16O15S.3C2HF3O2/c1-9-54(4)69(73(102)91-62(75(104)105)51-53(2)3)92-71(100)61(52-55-35-37-56(97)38-36-55)90-72(101)65-31-24-45-96(65)74(103)60(89-70(99)59(81)27-22-39-86-76(82)83)28-23-40-87-77(84)93-78(106)88-42-47-111-49-48-110-46-41-85-68(98)34-14-11-19-43-94-63-29-17-15-25-57(63)79(5,6)66(94)32-12-10-13-33-67-80(7,8)58-26-16-18-30-64(58)95(67)44-20-21-50-112(107,108)109;3*3-2(4,5)1(6)7/h10,12-13,15-18,25-26,29-30,32-33,35-38,53-54,59-62,65,69H,9,11,14,19-24,27-28,31,34,39-52,81H2,1-8H3,(H15-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109);3*(H,6,7)/t54-,59-,60-,61-,62-,65-,69-;;;/m0.../s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co...				ACS Med Chem Lett 11: 16-22 (2020) Article DOI: 10.1021/acsmedchemlett.9b00462 BindingDB Entry DOI: 10.7270/Q2SF30GN
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50509071 (CHEMBL4455324) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50509081 (CHEMBL4470527) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCCc2c[nH]cn2)n1 Show InChI InChI=1S/C15H24N6/c1-15(2,3)10-19-14-18-8-6-13(21-14)17-7-4-5-12-9-16-11-20-12/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,16,20)(H2,17,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of 2 nM [3H]UR-PI294 from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50509077 (CHEMBL4473753) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCc2c[nH]cn2)n1 Show InChI InChI=1S/C14H22N6/c1-14(2,3)9-18-13-17-7-5-12(20-13)16-6-4-11-8-15-10-19-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,15,19)(H2,16,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of 2 nM [3H]UR-PI294 from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes co...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant H3R expressed in human SK-N-MC cell membranes				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50538681 (CHEMBL4595327) Show SMILES CN(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r| Show InChI InChI=1S/C15H27N5/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate b...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of UR-DEBa242 binding to mouse recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate b...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50538676 (CHEMBL4636487) Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCc3c[nH]cn3)c(C)c2)cc1 Show InChI InChI=1S/C25H31N4/c1-20-16-23(9-6-5-8-22-11-13-25(14-12-22)28(3)4)17-21(2)29(20)15-7-10-24-18-26-19-27-24/h5-6,8-9,11-14,16-19H,7,10,15H2,1-4H3,(H,26,27)/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50509065 (CHEMBL4439142) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r| Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay				J Med Chem 62: 8338-8356 (2019) Article DOI: 10.1021/acs.jmedchem.9b01342 BindingDB Entry DOI: 10.7270/Q28K7DCH
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from Galphai2/Gbeta1gamma2-coupled human recombinant H4R expressed in baculovirus infected Sf9 insect cell membranes m...				J Med Chem 63: 5297-5311 (2020) Article DOI: 10.1021/acs.jmedchem.0c00160 BindingDB Entry DOI: 10.7270/Q2WM1HZ1
					More data for this Ligand-Target Pair				3D Structure (crystal)

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