Compile Data Set for Download or QSAR

Found 482 hits with Last Name = 'watanabe' and Initial = 'm'   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50523555 (CHEMBL4474284) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C47H67FN12O12S2/c1-5-25(4)40-46(71)55-31(14-15-36(50)62)43(68)57-34(18-37(51)63)44(69)58-35(23-74-73-22-30(49)41(66)56-33(45(70)59-40)17-26-8-12-29(61)13-9-26)47(72)60(20-27-6-10-28(48)11-7-27)21-39(65)54-32(16-24(2)3)42(67)53-19-38(52)64/h6-13,24-25,30-35,40,61H,5,14-23,49H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,71)(H,56,66)(H,57,68)(H,58,69)(H,59,70)/t25-,30-,31-,32-,33-,34-,35-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50523556 (CHEMBL4458988) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C48H69FN12O12S/c1-5-26(4)41-47(72)56-32(14-15-37(51)63)44(69)58-35(20-38(52)64)45(70)59-36(24-74-17-16-31(50)42(67)57-34(46(71)60-41)19-27-8-12-30(62)13-9-27)48(73)61(22-28-6-10-29(49)11-7-28)23-40(66)55-33(18-25(2)3)43(68)54-21-39(53)65/h6-13,25-26,31-36,41,62H,5,14-24,50H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,68)(H,55,66)(H,56,72)(H,57,67)(H,58,69)(H,59,70)(H,60,71)/t26-,31-,32-,33-,34-,35-,36-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50044686 (CHEMBL3354594) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1)[C@@H](C)CC |r| Show InChI InChI=1S/C48H68FN11O12S/c1-5-27(4)42-47(71)56-32(16-17-37(50)62)44(68)57-35(21-38(51)63)45(69)58-36(25-73-18-6-7-40(65)54-34(46(70)59-42)20-28-10-14-31(61)15-11-28)48(72)60(23-29-8-12-30(49)13-9-29)24-41(66)55-33(19-26(2)3)43(67)53-22-39(52)64/h8-15,26-27,32-36,42,61H,5-7,16-25H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t27-,32-,33-,34-,35-,36-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50127610 ((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...) Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				Bioorg Med Chem 18: 1076-82 (2010) Article DOI: 10.1016/j.bmc.2009.12.046 BindingDB Entry DOI: 10.7270/Q21V5F35
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50044742 (CHEMBL3354579) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(13-14-33(45)58)40(64)52-31(20-34(46)59)41(65)53-32(23-69-17-6-8-36(61)49-30(42(66)54-38)19-26-9-11-27(57)12-10-26)44(68)55(15-7-16-56)22-37(62)50-29(18-24(2)3)39(63)48-21-35(47)60/h9-12,24-25,28-32,38,56-57H,5-8,13-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,64)(H,53,65)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50523557 (CHEMBL4583231) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H68N12O13S2/c1-5-23(4)36-42(67)50-27(11-12-32(45)58)39(64)52-30(17-33(46)59)40(65)53-31(21-70-69-20-26(44)37(62)51-29(41(66)54-36)16-24-7-9-25(57)10-8-24)43(68)55(13-6-14-56)19-35(61)49-28(15-22(2)3)38(63)48-18-34(47)60/h7-10,22-23,26-31,36,56-57H,5-6,11-21,44H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,67)(H,51,62)(H,52,64)(H,53,65)(H,54,66)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50044677 (CHEBI:59204 | Carbetocin) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC Show InChI InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50044777 (Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...) Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50523554 (CHEMBL4467042) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H70N12O13S/c1-5-24(4)37-43(68)51-28(11-12-33(46)59)40(65)53-31(19-34(47)60)41(66)54-32(22-70-16-13-27(45)38(63)52-30(42(67)55-37)18-25-7-9-26(58)10-8-25)44(69)56(14-6-15-57)21-36(62)50-29(17-23(2)3)39(64)49-20-35(48)61/h7-10,23-24,27-32,37,57-58H,5-6,11-22,45H2,1-4H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,49,64)(H,50,62)(H,51,68)(H,52,63)(H,53,65)(H,54,66)(H,55,67)/t24-,27-,28-,29-,30-,31-,32-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University and Department of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr				J Med Chem 62: 3297-3310 (2019) Article DOI: 10.1021/acs.jmedchem.8b01691 BindingDB Entry DOI: 10.7270/Q2GF0XXQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194208 ((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...) Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194208 ((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...) Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells				J Med Chem 53: 3585-93 (2010) Article DOI: 10.1021/jm901848b BindingDB Entry DOI: 10.7270/Q2MP53DM
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194202 ((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...) Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1 Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50318106 ((1S,2R)-2-[(1R)-1-Ethyl-2-(4-chlorobenzylamino)eth...) Show SMILES CC[C@@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1 |r| Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells				J Med Chem 53: 3585-93 (2010) Article DOI: 10.1021/jm901848b BindingDB Entry DOI: 10.7270/Q2MP53DM
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194205 ((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...) Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194205 ((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...) Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194203 ((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...) Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells				J Med Chem 53: 3585-93 (2010) Article DOI: 10.1021/jm901848b BindingDB Entry DOI: 10.7270/Q2MP53DM
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50403994 (CHEMBL2114287) Show SMILES C[C@@H]1C[C@@H](N)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H15NO3/c1-3-2-4(8)6(10)7(11)5(3)9/h3-7,9-11H,2,8H2,1H3/t3-,4-,5-,6-,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description The compound was tested for the inhibitory activity against alpha-L-Fucosidase in bovine kidney				Bioorg Med Chem Lett 12: 749-52 (2002) BindingDB Entry DOI: 10.7270/Q2CF9PDK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194203 ((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...) Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50118923 ((1S,2S,3R)-4-Methyl-6-octylamino-cyclohexane-1,2,3...) Show SMILES CCCCCCCCNC1CC(C)C(O)C(O)C1O Show InChI InChI=1S/C15H31NO3/c1-3-4-5-6-7-8-9-16-12-10-11(2)13(17)15(19)14(12)18/h11-19H,3-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity against alpha-L-fucosidase in bovine kidney was determined				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50318103 ((1R,2S)-2-[(1R)-1-Ethyl-2-(4-chlorobenzylamino)eth...) Show SMILES CC[C@@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1 |r| Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells				J Med Chem 53: 3585-93 (2010) Article DOI: 10.1021/jm901848b BindingDB Entry DOI: 10.7270/Q2MP53DM
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194211 ((1S,2S)-cis-2-[2-(cyclohexylmethylamino)ethyl]-1-(...) Show SMILES C(C[C@@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1 Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity against alpha-L-fucosidase in bovine kidney was determined				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194206 ((1R,2S)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...) Show SMILES C(C[C@@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1 Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50118928 ((1S,2S,3R)-4-Methyl-6-phenethylamino-cyclohexane-1...) Show SMILES CC1CC(NCCc2ccccc2)C(O)C(O)C1O Show InChI InChI=1S/C15H23NO3/c1-10-9-12(14(18)15(19)13(10)17)16-8-7-11-5-3-2-4-6-11/h2-6,10,12-19H,7-9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity against alpha-L-fucosidase in bovine kidney was determined				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194209 ((1R,2R)-trans-2-(cyclohexylmethylamino)methyl-1-(1...) Show SMILES C(NCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1 Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194206 ((1R,2S)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...) Show SMILES C(C[C@@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1 Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194208 ((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...) Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50310163 ((1R,2S)-2-[2-(4-Chlorobenzylamino)ethyl]-1-(5(4)-m...) Show SMILES Cc1nc[nH]c1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClN3/c1-11-16(20-10-19-11)15-8-13(15)6-7-18-9-12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3,(H,19,20)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylahistamine from human histamine H3 receptor				Bioorg Med Chem 18: 1076-82 (2010) Article DOI: 10.1016/j.bmc.2009.12.046 BindingDB Entry DOI: 10.7270/Q21V5F35
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194212 ((1S,2S)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...) Show SMILES Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50118921 ((1R,2S,3S)-4-Heptylamino-6-methyl-cyclohexane-1,2,...) Show SMILES CCCCCCCNC1CC(C)C(O)C(O)C1O Show InChI InChI=1S/C14H29NO3/c1-3-4-5-6-7-8-15-11-9-10(2)12(16)14(18)13(11)17/h10-18H,3-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity against alpha-L-fucosidase in bovine kidney was determined				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	51.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	51.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells				J Med Chem 53: 3585-93 (2010) Article DOI: 10.1021/jm901848b BindingDB Entry DOI: 10.7270/Q2MP53DM
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50506970 (CHEMBL4592695) Show SMILES C(C[C@@H]1C[C@H]1c1c[nH]cn1)NCc1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C16H19N5/c1-2-4-14-13(3-1)20-16(21-14)9-17-6-5-11-7-12(11)15-8-18-10-19-15/h1-4,8,10-12,17H,5-7,9H2,(H,18,19)(H,20,21)/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cell membranes after 30 mins by liquid scint...				Bioorg Med Chem Lett 28: 3630-3633 (2018) Article DOI: 10.1016/j.bmcl.2018.10.041 BindingDB Entry DOI: 10.7270/Q2GX4FVC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50318105 ((1S,2R)-2-[(1S)-1-Ethyl-2-(4-chlorobenzylamino)eth...) Show SMILES CC[C@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1 |r| Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells				J Med Chem 53: 3585-93 (2010) Article DOI: 10.1021/jm901848b BindingDB Entry DOI: 10.7270/Q2MP53DM
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50118920 ((1R,2S,3S)-4-Benzylamino-6-methyl-cyclohexane-1,2,...) Show SMILES CC1CC(NCc2ccccc2)C(O)C(O)C1O Show InChI InChI=1S/C14H21NO3/c1-9-7-11(13(17)14(18)12(9)16)15-8-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity against alpha-L-fucosidase in bovine kidney was determined				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50118922 ((1R,2S,3S)-4-Butylamino-6-methyl-cyclohexane-1,2,3...) Show SMILES CCCCNC1CC(C)C(O)C(O)C1O Show InChI InChI=1S/C11H23NO3/c1-3-4-5-12-8-6-7(2)9(13)11(15)10(8)14/h7-15H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity against alpha-L-fucosidase in bovine kidney was determined				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194204 ((1S,2R)-cis-2-(4-chlorobenzylamino)methyl-1-(1H-im...) Show SMILES Clc1ccc(CNC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine form human H3 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194216 ((1S,2S)-trans-2-(cyclohexylmethylamino)methyl-1-(1...) Show SMILES C(NCC1CCCCC1)[C@H]1C[C@@H]1c1cnc[nH]1 Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194203 ((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...) Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Tissue alpha-L-fucosidase (Homo sapiens (Human))	BDBM50118919 ((1S,2S,3R)-4-Methyl-6-nonylamino-cyclohexane-1,2,3...) Show SMILES CCCCCCCCCNC1CC(C)C(O)C(O)C1O Show InChI InChI=1S/C16H33NO3/c1-3-4-5-6-7-8-9-10-17-13-11-12(2)14(18)16(20)15(13)19/h12-20H,3-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity against alpha-L-fucosidase in bovine kidney was determined				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194210 ((1S,2S)-trans-2-(4-chlorobenzylamino)methyl-1-(1H-...) Show SMILES Clc1ccc(CNC[C@H]2C[C@@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194207 ((1R,2R)-trans-2-(4-chlorobenzylamino)methyl-1-(1H-...) Show SMILES Clc1ccc(CNC[C@@H]2C[C@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194202 ((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...) Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1 Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50318104 ((1R,2S)-2-[(1S)-1-Ethyl-2-(4-chlorobenzylamino)eth...) Show SMILES CC[C@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1 |r| Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells				J Med Chem 53: 3585-93 (2010) Article DOI: 10.1021/jm901848b BindingDB Entry DOI: 10.7270/Q2MP53DM
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194212 ((1S,2S)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...) Show SMILES Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1 Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50194209 ((1R,2R)-trans-2-(cyclohexylmethylamino)methyl-1-(1...) Show SMILES C(NCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1 Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine form human H4 receptor				J Med Chem 49: 5587-96 (2006) Article DOI: 10.1021/jm0603318 BindingDB Entry DOI: 10.7270/Q2MW2GRK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50310163 ((1R,2S)-2-[2-(4-Chlorobenzylamino)ethyl]-1-(5(4)-m...) Show SMILES Cc1nc[nH]c1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H20ClN3/c1-11-16(20-10-19-11)15-8-13(15)6-7-18-9-12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3,(H,19,20)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor				Bioorg Med Chem 18: 1076-82 (2010) Article DOI: 10.1016/j.bmc.2009.12.046 BindingDB Entry DOI: 10.7270/Q21V5F35
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50032675 (4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...) Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Displacement of 9-cis-[11,12-3H]-retinoic acid from human RXRalpha LBD incubated for overnight by scintillation counting method				J Med Chem 62: 8809-8818 (2019) Article DOI: 10.1021/acs.jmedchem.9b00995 BindingDB Entry DOI: 10.7270/Q2G44TRN
					More data for this Ligand-Target Pair				3D Structure (crystal)

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