Compile Data Set for Download or QSAR

Found 804 hits with Last Name = 'hanessian' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50220136 (3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Binding affinity to NK1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50331670 (CHEMBL1289648) Show SMILES Clc1ccc2CCNCCCNC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O |r| Show InChI InChI=1S/C27H32Cl2N6O2/c28-22-8-7-20-9-12-30-10-4-11-31-16-23(13-19-5-2-1-3-6-19)34-26-27(37)35(24(29)17-33-26)18-25(36)32-15-21(20)14-22/h1-3,5-8,14,17,23,30-31H,4,9-13,15-16,18H2,(H,32,36)(H,33,34)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of factor 2a				Bioorg Med Chem Lett 20: 6925-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.141 BindingDB Entry DOI: 10.7270/Q237790B
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50291261 ((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...) Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Binding affinity to NK3 receptor (unknown origin)				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50445820 (CHEMBL3104783) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C31H31Cl3FN3O3/c1-36(19-20-3-6-22(32)7-4-20)29(39)24(21-5-9-26(33)27(34)17-21)11-14-38-15-12-31(13-16-38)25-18-23(35)8-10-28(25)37(2)30(40)41-31/h3-10,17-18,24H,11-16,19H2,1-2H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50445819 (CHEMBL3104785) Show SMILES CCCN(C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1)C(C)=O |r| Show InChI InChI=1S/C29H38Cl2FN3O3/c1-4-14-35(20(2)37)24-11-15-34(16-12-24)17-13-29(3,22-7-10-25(30)26(31)18-22)28(38)33-27(19-36)21-5-8-23(32)9-6-21/h5-10,18,24,27,36H,4,11-17,19H2,1-3H3,(H,33,38)/t27-,29?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207038 (CHEMBL3961596) Show SMILES CNCC1Cc2cc3ccn(c3cc12)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H20N2O2S/c1-23-14-18-12-17-11-16-9-10-24(21(16)13-20(17)18)27(25,26)22-8-4-6-15-5-2-3-7-19(15)22/h2-11,13,18,23H,12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50206981 (CHEMBL3948819) Show SMILES CNCC1Cc2ccc3n(ccc3c12)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H20N2O2S/c1-23-14-17-13-16-9-10-20-19(22(16)17)11-12-24(20)27(25,26)21-8-4-6-15-5-2-3-7-18(15)21/h2-12,17,23H,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50331669 ((6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,...) Show SMILES Clc1ccc2OCC(=O)NCCC(=O)N[C@H](C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1 |r| Show InChI InChI=1S/C25H33ClN4O5/c26-18-8-9-20-17(13-18)14-28-24(33)19-7-4-12-30(19)25(34)23(16-5-2-1-3-6-16)29-21(31)10-11-27-22(32)15-35-20/h8-9,13,16,19,23H,1-7,10-12,14-15H2,(H,27,32)(H,28,33)(H,29,31)/t19-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of factor 2a				Bioorg Med Chem Lett 20: 6925-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.141 BindingDB Entry DOI: 10.7270/Q237790B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50085448 ((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H27N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against Prothrombin				Bioorg Med Chem Lett 10: 243-7 (2000) BindingDB Entry DOI: 10.7270/Q2K9381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207046 (CHEMBL3929918) Show SMILES CNCC1Cc2ccc3n(ccc3c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O2S/c1-19-12-14-11-13-7-8-17-16(18(13)14)9-10-20(17)23(21,22)15-5-3-2-4-6-15/h2-10,14,19H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020120 (CHEMBL3288169) Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42(2)31(32(45)41-17-16-40)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-30(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,31H,13-21,40H2,1-3H3,(H,41,45);(H,6,7)/t31-,35-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020118 (CHEMBL3288167) Show SMILES CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H39Cl2FN4O5/c1-34(24-8-10-27(36)28(37)21-24,32(45)40-29(31(44)39-15-19-43)20-23-6-4-3-5-7-23)12-16-42-17-13-35(14-18-42)26-22-25(38)9-11-30(26)41(2)33(46)47-35/h3-11,21-22,29,43H,12-20H2,1-2H3,(H,39,44)(H,40,45)/t29-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207039 (CHEMBL3890882) Show SMILES CN[C@H]1[C@H](CCO)c2cc3n(ccc3cc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20N2O3S/c1-20-19-15(8-10-22)16-12-18-13(11-17(16)19)7-9-21(18)25(23,24)14-5-3-2-4-6-14/h2-7,9,11-12,15,19-20,22H,8,10H2,1H3/t15-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020127 (CHEMBL3288170) Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4.C2HF3O2/c1-36(26-10-12-29(38)30(39)23-26,34(47)43(2)32(33(46)42-18-7-17-41)22-25-8-5-4-6-9-25)14-19-45-20-15-37(16-21-45)28-24-27(40)11-13-31(28)44(3)35(48)49-37;3-2(4,5)1(6)7/h4-6,8-13,23-24,32H,7,14-22,41H2,1-3H3,(H,42,46);(H,6,7)/t32-,36-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207042 (CHEMBL3895173) Show SMILES CN[C@@H]1[C@H](CCO)c2ccc3n(ccc3c12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20N2O3S/c1-20-19-15(10-12-22)14-7-8-17-16(18(14)19)9-11-21(17)25(23,24)13-5-3-2-4-6-13/h2-9,11,15,19-20,22H,10,12H2,1H3/t15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020120 (CHEMBL3288169) Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42(2)31(32(45)41-17-16-40)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-30(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,31H,13-21,40H2,1-3H3,(H,41,45);(H,6,7)/t31-,35-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50085451 ((3S,6R,8aS)-6-Benzyl-6-hydroxy-5-oxo-octahydro-ind...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CC[C@@](O)(Cc4ccccc4)C(=O)N23)cc1 Show InChI InChI=1S/C24H28N4O3/c25-21(26)18-8-6-17(7-9-18)15-27-22(29)20-11-10-19-12-13-24(31,23(30)28(19)20)14-16-4-2-1-3-5-16/h1-9,19-20,31H,10-15H2,(H3,25,26)(H,27,29)/t19-,20-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against Prothrombin				Bioorg Med Chem Lett 10: 243-7 (2000) BindingDB Entry DOI: 10.7270/Q2K9381W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207043 (CHEMBL3959964) Show SMILES CN[C@@H]1[C@H](CCO)c2cc3n(ccc3cc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20N2O3S/c1-20-19-15(8-10-22)16-12-18-13(11-17(16)19)7-9-21(18)25(23,24)14-5-3-2-4-6-14/h2-7,9,11-12,15,19-20,22H,8,10H2,1H3/t15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207045 (CHEMBL3944687) Show SMILES CN(C)[C@H]1[C@H](CCO)c2cc3n(ccc3cc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H22N2O3S/c1-21(2)20-16(9-11-23)17-13-19-14(12-18(17)20)8-10-22(19)26(24,25)15-6-4-3-5-7-15/h3-8,10,12-13,16,20,23H,9,11H2,1-2H3/t16-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50445808 (CHEMBL3104784) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO |r| Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50445808 (CHEMBL3104784) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO |r| Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Binding affinity to NK1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020112 (CHEMBL3288165) Show SMILES OC(=O)C(F)(F)F.CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40-2)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,30,40H,13-21H2,1-3H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020119 (CHEMBL3288168) Show SMILES CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C36H41Cl2FN4O5/c1-35(25-9-11-28(37)29(38)22-25,33(46)41-30(32(45)40-16-20-44)21-24-7-4-3-5-8-24)13-6-17-43-18-14-36(15-19-43)27-23-26(39)10-12-31(27)42(2)34(47)48-36/h3-5,7-12,22-23,30,44H,6,13-21H2,1-2H3,(H,40,45)(H,41,46)/t30-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50445809 (CHEMBL3104786) Show SMILES CN([C@H](C(=O)NCCN1CCOCC1)c1ccccc1)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)35(3)22(18-7-5-4-6-8-18)23(37)34-9-10-36-11-13-39-14-12-36/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020117 (CHEMBL3288166) Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H46Cl2FN5O4/c1-37(27-11-13-30(39)31(40)24-27,35(48)43-32(23-26-9-6-5-7-10-26)34(47)42-18-22-44(2)3)15-8-19-46-20-16-38(17-21-46)29-25-28(41)12-14-33(29)45(4)36(49)50-38/h5-7,9-14,24-25,32H,8,15-23H2,1-4H3,(H,42,47)(H,43,48)/t32-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020094 (CHEMBL3288161) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020112 (CHEMBL3288165) Show SMILES OC(=O)C(F)(F)F.CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40-2)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,30,40H,13-21H2,1-3H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50206983 (CHEMBL3908917) Show SMILES CN[C@H]1[C@@H](CCO)c2c1ccc1n(ccc21)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20N2O3S/c1-20-19-15-7-8-17-14(18(15)16(19)10-12-22)9-11-21(17)25(23,24)13-5-3-2-4-6-13/h2-9,11,16,19-20,22H,10,12H2,1H3/t16-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020127 (CHEMBL3288170) Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4.C2HF3O2/c1-36(26-10-12-29(38)30(39)23-26,34(47)43(2)32(33(46)42-18-7-17-41)22-25-8-5-4-6-9-25)14-19-45-20-15-37(16-21-45)28-24-27(40)11-13-31(28)44(3)35(48)49-37;3-2(4,5)1(6)7/h4-6,8-13,23-24,32H,7,14-22,41H2,1-3H3,(H,42,46);(H,6,7)/t32-,36-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020118 (CHEMBL3288167) Show SMILES CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H39Cl2FN4O5/c1-34(24-8-10-27(36)28(37)21-24,32(45)40-29(31(44)39-15-19-43)20-23-6-4-3-5-7-23)12-16-42-17-13-35(14-18-42)26-22-25(38)9-11-30(26)41(2)33(46)47-35/h3-11,21-22,29,43H,12-20H2,1-2H3,(H,39,44)(H,40,45)/t29-,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020114 (CHEMBL3286415) Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4/c1-36(26-10-12-29(38)30(39)23-26,34(47)42-31(22-25-8-6-5-7-9-25)33(46)41-17-21-43(2)3)14-18-45-19-15-37(16-20-45)28-24-27(40)11-13-32(28)44(4)35(48)49-37/h5-13,23-24,31H,14-22H2,1-4H3,(H,41,46)(H,42,47)/t31-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207044 (CHEMBL3916787) Show SMILES CN(C)[C@@H]1[C@H](CCO)c2cc3n(ccc3cc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H22N2O3S/c1-21(2)20-16(9-11-23)17-13-19-14(12-18(17)20)8-10-22(19)26(24,25)15-6-4-3-5-7-15/h3-8,10,12-13,16,20,23H,9,11H2,1-2H3/t16-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020114 (CHEMBL3286415) Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4/c1-36(26-10-12-29(38)30(39)23-26,34(47)42-31(22-25-8-6-5-7-9-25)33(46)41-17-21-43(2)3)14-18-45-19-15-37(16-20-45)28-24-27(40)11-13-32(28)44(4)35(48)49-37/h5-13,23-24,31H,14-22H2,1-4H3,(H,41,46)(H,42,47)/t31-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020096 (CHEMBL3288163) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C34H38Cl2FN5O4.ClH/c1-33(23-8-10-26(35)27(36)20-23,31(44)40-29(30(43)39-16-15-38)22-6-4-3-5-7-22)12-17-42-18-13-34(14-19-42)25-21-24(37)9-11-28(25)41(2)32(45)46-34;/h3-11,20-21,29H,12-19,38H2,1-2H3,(H,39,43)(H,40,44);1H/t29-,33+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020094 (CHEMBL3288161) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207037 (CHEMBL3889852) Show SMILES [H][C@]12CCNCC[C@@]1([H])c1c2ccc2n(ccc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H20N2O2S/c23-25(24,14-4-2-1-3-5-14)22-13-10-18-19(22)7-6-16-15-8-11-21-12-9-17(15)20(16)18/h1-7,10,13,15,17,21H,8-9,11-12H2/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020088 (CHEMBL3288155) Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@H](CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.ClH/c1-42(32(33(45)41-17-16-40)21-24-7-4-3-5-8-24)34(46)27(25-10-12-29(37)30(38)22-25)9-6-18-44-19-14-36(15-20-44)28-23-26(39)11-13-31(28)43(2)35(47)48-36;/h3-5,7-8,10-13,22-23,27,32H,6,9,14-21,40H2,1-2H3,(H,41,45);1H/t27-,32+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020095 (CHEMBL3288162) Show SMILES OC(=O)C(F)(F)F.CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40)21-24-7-4-3-5-8-24)13-6-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(2)34(47)48-36;3-2(4,5)1(6)7/h3-5,7-12,22-23,30H,6,13-21,40H2,1-2H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020091 (CHEMBL3288158) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50445808 (CHEMBL3104784) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO |r| Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Binding affinity to NK3 receptor (unknown origin)				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50445808 (CHEMBL3104784) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO |r| Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50207047 (CHEMBL3910287) Show SMILES CN(CCc1ccc(NC(C)=O)cc1)CC1Cc2ccc3n(ccc3c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H29N3O3S/c1-20(32)29-24-11-8-21(9-12-24)14-16-30(2)19-23-18-22-10-13-27-26(28(22)23)15-17-31(27)35(33,34)25-6-4-3-5-7-25/h3-13,15,17,23H,14,16,18-19H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50445807 (CHEMBL3104778) Show SMILES CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)34-22(18-7-5-4-6-8-18)23(37)35(3)9-10-36-11-13-39-14-12-36/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,38)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50445806 (CHEMBL3104782) Show SMILES CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H29F6N3O3/c1-24(2,18-14-19(25(27,28)29)16-20(15-18)26(30,31)32)23(37)34-21(17-6-4-3-5-7-17)22(36)33-8-9-35-10-12-38-13-11-35/h3-7,14-16,21H,8-13H2,1-2H3,(H,33,36)(H,34,37)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50085449 ((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...) Show SMILES CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H]1CC[C@H]2C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C25H30N4O4/c1-33-21-14-25(32,13-16-5-3-2-4-6-16)24(31)29-19(21)11-12-20(29)23(30)28-15-17-7-9-18(10-8-17)22(26)27/h2-10,19-21,32H,11-15H2,1H3,(H3,26,27)(H,28,30)/t19-,20-,21-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Concentration required for 50 percent inhibition of Prothrombin				Bioorg Med Chem Lett 10: 243-7 (2000) BindingDB Entry DOI: 10.7270/Q2K9381W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50085450 ((3S,6S,8aS)-6-Hydroxy-6-methyl-5-oxo-octahydro-ind...) Show SMILES C[C@]1(O)CC[C@@H]2CC[C@H](N2C1=O)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C18H24N4O3/c1-18(25)9-8-13-6-7-14(22(13)17(18)24)16(23)21-10-11-2-4-12(5-3-11)15(19)20/h2-5,13-14,25H,6-10H2,1H3,(H3,19,20)(H,21,23)/t13-,14-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against Prothrombin				Bioorg Med Chem Lett 10: 243-7 (2000) BindingDB Entry DOI: 10.7270/Q2K9381W
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020119 (CHEMBL3288168) Show SMILES CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C36H41Cl2FN4O5/c1-35(25-9-11-28(37)29(38)22-25,33(46)41-30(32(45)40-16-20-44)21-24-7-4-3-5-8-24)13-6-17-43-18-14-36(15-19-43)27-23-26(39)10-12-31(27)42(2)34(47)48-36/h3-5,7-12,22-23,30,44H,6,13-21H2,1-2H3,(H,40,45)(H,41,46)/t30-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50207049 (CHEMBL3919497) Show SMILES CN(C)[C@@H]1[C@@H](CCO)c2cc3ccn(c3cc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H22N2O3S/c1-21(2)20-16(9-11-23)17-12-14-8-10-22(19(14)13-18(17)20)26(24,25)15-6-4-3-5-7-15/h3-8,10,12-13,16,20,23H,9,11H2,1-2H3/t16-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-methyl-spiperone from human dopamine D3 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 25: 38-52 (2017) Article DOI: 10.1016/j.bmc.2016.10.010 BindingDB Entry DOI: 10.7270/Q2VT1V3Q
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020091 (CHEMBL3288158) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair

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