Compile Data Set for Download or QSAR

Found 404 hits with Last Name = 'schnider' and Initial = 'p'   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593676 (2'-(3-hydroxy-7,7-dimethyl-1'H,7H- spiro[furo[3,4-...) Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4ccccc4C3)O2)c2cc(O)cnc12 |t:11| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593614 (5-hydroxy-1'-(4'-oxo-1,3-dihydro-4'H- spiro[indene...) Show SMILES Oc1ccc2c(c1)C(=O)OC21CCN(CC1)C1=NC(=O)C2(Cc3ccccc3C2)O1 |t:19| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50401082 (CHEMBL2203704) Show SMILES C[C@H]1CN(CCN1S(C)(=O)=O)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(F)cc1C |r| Show InChI InChI=1S/C31H33F7N4O3S/c1-18-11-23(32)7-8-24(18)25-15-27(41-9-10-42(19(2)17-41)46(6,44)45)39-16-26(25)40(5)28(43)29(3,4)20-12-21(30(33,34)35)14-22(13-20)31(36,37)38/h7-8,11-16,19H,9-10,17H2,1-6H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593606 (2'-(1'H,3H-spiro[2-benzofuran-1,4'- piperidin]-1'-...) Show SMILES O=C1N=C(OC11Cc2ccccc2C1)N1CCC2(CC1)OCc1ccccc21 |c:2| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593639 (5,6-difluoro-2'-(1'H,3H-spiro[2- benzofuran-1,4'-p...) Show SMILES Fc1cc2CC3(Cc2cc1F)OC(=NC3=O)N1CCC2(CC1)OCc1ccccc21 |c:14| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288741 (US10092551, Example 49 | US10092551, Example 96) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1 |c:4| Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-6-7-18(23)24-12-15)19-20(27)25-21(29-19)26-10-8-22(9-11-26)17-5-3-2-4-16(17)13-28-22/h2-7,12H,8-11,13H2,1H3/b19-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.398	-53.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288715 (US10092551, Example 23) Show SMILES FC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C23H20ClFN2O2S/c24-17-7-5-15(6-8-17)18(13-25)20-21(28)26-22(30-20)27-11-9-23(10-12-27)19-4-2-1-3-16(19)14-29-23/h1-8H,9-14H2/b20-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.398	-53.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50401078 (CHEMBL2203708) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C30H31F7N4O3S/c1-18-12-22(31)6-7-23(18)24-16-26(40-8-10-41(11-9-40)45(5,43)44)38-17-25(24)39(4)27(42)28(2,3)19-13-20(29(32,33)34)15-21(14-19)30(35,36)37/h6-7,12-17H,8-11H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000040 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50178575 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(6-(4-hydroxy...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCC(O)CC1 Show InChI InChI=1S/C30H31F6N3O2/c1-18-7-5-6-8-23(18)24-16-26(39-11-9-22(40)10-12-39)37-17-25(24)38(4)27(41)28(2,3)19-13-20(29(31,32)33)15-21(14-19)30(34,35)36/h5-8,13-17,22,40H,9-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1362-5 (2006) Article DOI: 10.1016/j.bmcl.2005.11.047 BindingDB Entry DOI: 10.7270/Q2D50MJP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50178558 (2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(nc1-c1ccccc1C)N1CCN(C)CC1 Show InChI InChI=1S/C29H31F6N5O/c1-18-8-6-7-9-22(18)24-23(17-36-26(37-24)40-12-10-38(4)11-13-40)39(5)25(41)27(2,3)19-14-20(28(30,31)32)16-21(15-19)29(33,34)35/h6-9,14-17H,10-13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1362-5 (2006) Article DOI: 10.1016/j.bmcl.2005.11.047 BindingDB Entry DOI: 10.7270/Q2D50MJP
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077223 (CHEMBL3416881) Show SMILES CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 Show InChI InChI=1S/C25H26ClN3O3/c1-27(2)23(30)15-29-14-20(19-8-7-18(26)13-22(19)29)24(31)28-11-9-25(10-12-28)21-6-4-3-5-17(21)16-32-25/h3-8,13-14H,9-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593674 (2'-(7,7-dimethyl-1'H,7H- spiro[furo[3,4-b]pyridine...) Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4cccc(O)c4C3)O2)c2cccnc12 |t:11| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593608 (2'-(3,3-dimethyl-1'H,3H-spiro[2- benzofuran-1,4'-p...) Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4ccccc4C3)O2)c2ccccc12 |t:11| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288862 (US10092551, Example 171) Show SMILES [2H]C([2H])([2H])C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)\c1ccc(Cl)nc1 |c:7| Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-6-7-18(23)24-12-15)19-20(27)25-21(29-19)26-10-8-22(9-11-26)17-5-3-2-4-16(17)13-28-22/h2-7,12H,8-11,13H2,1H3/b19-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288850 (US10092551, Example 159) Show SMILES CC(C)(C)OC(=O)NC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:12| Show InChI InChI=1S/C28H31N3O4S/c1-27(2,3)35-26(33)29-17-21(19-9-5-4-6-10-19)23-24(32)30-25(36-23)31-15-13-28(14-16-31)22-12-8-7-11-20(22)18-34-28/h4-12H,13-18H2,1-3H3,(H,29,33)/b23-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288847 (US10092551, Example 156) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OC(=O)c1ccccc21)c1ccccc1 |c:4| Show InChI InChI=1S/C23H20N2O3S/c1-15(16-7-3-2-4-8-16)19-20(26)24-22(29-19)25-13-11-23(12-14-25)18-10-6-5-9-17(18)21(27)28-23/h2-10H,11-14H2,1H3/b19-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288816 (US10092551, Example 124) Show SMILES OC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:5| Show InChI InChI=1S/C23H22N2O3S/c26-14-18(16-6-2-1-3-7-16)20-21(27)24-22(29-20)25-12-10-23(11-13-25)19-9-5-4-8-17(19)15-28-23/h1-9,26H,10-15H2/b20-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288739 (US10092551, Example 47) Show SMILES O=C1N=C(S\C1=C1\CCCCc2ccccc12)N1CCC2(CC1)OCc1ccccc21 |c:2| Show InChI InChI=1S/C26H26N2O2S/c29-24-23(21-11-5-2-8-18-7-1-4-10-20(18)21)31-25(27-24)28-15-13-26(14-16-28)22-12-6-3-9-19(22)17-30-26/h1,3-4,6-7,9-10,12H,2,5,8,11,13-17H2/b23-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288698 (US10092551, Example 6) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ncccc21)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-4-6-16(23)7-5-15)19-20(27)25-21(29-19)26-11-8-22(9-12-26)17-3-2-10-24-18(17)13-28-22/h2-7,10H,8-9,11-13H2,1H3/b19-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318924 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50178565 (CHEMBL206488 | N-(3,5-bis(trifluoromethyl)benzyl)-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1 Show InChI InChI=1S/C28H28F6N4O/c1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34/h4-7,12-16H,8-11,17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1362-5 (2006) Article DOI: 10.1016/j.bmcl.2005.11.047 BindingDB Entry DOI: 10.7270/Q2D50MJP
					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	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318925 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1C[C@H](O)C[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-8-17(28(31,32)33)10-18(9-16)29(34,35)36)26(42)38(3)24-13-37-25(39-14-20(41)11-19(39)15-40)12-22(24)21-6-4-5-7-23(21)30/h4-10,12-13,19-20,40-41H,11,14-15H2,1-3H3/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288726 (US10092551, Example 34) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc[nH]1 |c:4| Show InChI InChI=1S/C21H21N3O2S/c1-14(17-7-4-10-22-17)18-19(25)23-20(27-18)24-11-8-21(9-12-24)16-6-3-2-5-15(16)13-26-21/h2-7,10,22H,8-9,11-13H2,1H3/b18-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.631	-52.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288824 (US10092551, Example 133) Show SMILES CC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1 |c:5| Show InChI InChI=1S/C23H22ClN3O2S/c1-2-17(15-7-8-19(24)25-13-15)20-21(28)26-22(30-20)27-11-9-23(10-12-27)18-6-4-3-5-16(18)14-29-23/h3-8,13H,2,9-12,14H2,1H3/b20-17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.631	-52.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288708 (US10092551, Example 151 | US10092551, Example 16) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:4| Show InChI InChI=1S/C23H22N2O2S/c1-16(17-7-3-2-4-8-17)20-21(26)24-22(28-20)25-13-11-23(12-14-25)19-10-6-5-9-18(19)15-27-23/h2-10H,11-15H2,1H3/b20-16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.631	-52.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593643 (2'-(5,5-dimethyl-1'H,5H- spiro[furo[3,4-b]pyridine...) Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4ccccc4C3)O2)c2ncccc12 |t:11| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288693 (US10092551, Example 1 | US10092551, Example 26) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C23H21ClN2O2S/c1-15(16-6-8-18(24)9-7-16)20-21(27)25-22(29-20)26-12-10-23(11-13-26)19-5-3-2-4-17(19)14-28-23/h2-9H,10-14H2,1H3/b20-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.631	-52.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50401083 (CHEMBL2203703) 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[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C30H30F7N3O3/c1-16-9-20(31)5-6-21(16)22-13-26(40-8-7-25(42)24(40)15-41)38-14-23(22)39(4)27(43)28(2,3)17-10-18(29(32,33)34)12-19(11-17)30(35,36)37/h5-6,9-14,24-25,41-42H,7-8,15H2,1-4H3/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50401079 (CHEMBL2203707) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCN(C[C@H]1CO)S(C)(=O)=O |r| Show InChI InChI=1S/C31H33F7N4O4S/c1-18-10-22(32)6-7-24(18)25-14-27(42-9-8-41(47(5,45)46)16-23(42)17-43)39-15-26(25)40(4)28(44)29(2,3)19-11-20(30(33,34)35)13-21(12-19)31(36,37)38/h6-7,10-15,23,43H,8-9,16-17H2,1-5H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50401083 (CHEMBL2203703) 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[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C30H30F7N3O3/c1-16-9-20(31)5-6-21(16)22-13-26(40-8-7-25(42)24(40)15-41)38-14-23(22)39(4)27(43)28(2,3)17-10-18(29(32,33)34)12-19(11-17)30(35,36)37/h5-6,9-14,24-25,41-42H,7-8,15H2,1-4H3/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Binding affinity at human NK1 receptor				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318922 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318930 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(CCO)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClF6N3O2/c1-25(2,16-11-17(26(29,30)31)13-18(12-16)27(32,33)34)24(39)37(4)22-15-35-23(36(3)9-10-38)14-20(22)19-7-5-6-8-21(19)28/h5-8,11-15,38H,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288741 (US10092551, Example 49 | US10092551, Example 96) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1 |c:4| Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-6-7-18(23)24-12-15)19-20(27)25-21(29-19)26-10-8-22(9-11-26)17-5-3-2-4-16(17)13-28-22/h2-7,12H,8-11,13H2,1H3/b19-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288753 (US10092551, Example 61) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1cccnc1F |c:4| Show InChI InChI=1S/C22H20FN3O2S/c1-14(16-6-4-10-24-19(16)23)18-20(27)25-21(29-18)26-11-8-22(9-12-26)17-7-3-2-5-15(17)13-28-22/h2-7,10H,8-9,11-13H2,1H3/b18-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593647 (2'-(2-methyl-1'H,5H-spiro[furo[3,4- b]pyridine-7,4...) Show SMILES Cc1ccc2COC3(CCN(CC3)C3=NC(=O)C4(Cc5ccccc5C4)O3)c2n1 |t:14| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593671 (1'-[4'-oxo-3,4-dihydro-1H,4'H- spiro[naphthalene-2...) Show SMILES O=C1OC2(CCN(CC2)C2=NC(=O)[C@]3(CCc4ccccc4C3)O2)c2ccccc12 |r,t:10| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593644 (2'-(7,7-dimethyl-1'H,7H- spiro[furo[3,4-b]pyridine...) Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4ccccc4C3)O2)c2cccnc12 |t:11| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593626 (5-methyl-2'-(1'H,3H-spiro[2- benzofuran-1,4'-piper...) Show SMILES Cc1ccc2CC3(Cc2c1)OC(=NC3=O)N1CCC2(CC1)OCc1ccccc21 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288710 (US10092551, Example 18) Show SMILES FC(F)(F)C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)\c1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C23H18ClF3N2O2S/c24-16-7-5-14(6-8-16)18(23(25,26)27)19-20(30)28-21(32-19)29-11-9-22(10-12-29)17-4-2-1-3-15(17)13-31-22/h1-8H,9-13H2/b19-18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288705 (US10092551, Example 13 | US10092551, Example 24) Show SMILES CC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C24H23ClN2O2S/c1-2-19(16-7-9-18(25)10-8-16)21-22(28)26-23(30-21)27-13-11-24(12-14-27)20-6-4-3-5-17(20)15-29-24/h3-10H,2,11-15H2,1H3/b21-19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM593616 (6-hydroxy-1'-(4'-oxo-1,3-dihydro-4'H- spiro[indene...) Show SMILES Oc1ccc2C(=O)OC3(CCN(CC3)C3=NC(=O)C4(Cc5ccccc5C4)O3)c2c1 |t:15| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR2358
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM288729 (US10092551, Example 37) Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1cccn1C |c:4| Show InChI InChI=1S/C22H23N3O2S/c1-15(18-8-5-11-24(18)2)19-20(26)23-21(28-19)25-12-9-22(10-13-25)17-7-4-3-6-16(17)14-27-22/h3-8,11H,9-10,12-14H2,1-2H3/b19-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.794	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-LaRoche Inc. US Patent					Assay Description The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...				US Patent US10092551 (2018) BindingDB Entry DOI: 10.7270/Q2348NFN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318919 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C28H26ClF6N3O2/c1-26(2,16-10-17(27(30,31)32)12-18(11-16)28(33,34)35)25(40)37(3)23-14-36-24(38-9-8-19(39)15-38)13-21(23)20-6-4-5-7-22(20)29/h4-7,10-14,19,39H,8-9,15H2,1-3H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318915 (CHEMBL1082737 | N-(6-(bis(2-hydroxyethyl)amino)-4-...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCO Show InChI InChI=1S/C28H28ClF6N3O3/c1-26(2,17-12-18(27(30,31)32)14-19(13-17)28(33,34)35)25(41)37(3)23-16-36-24(38(8-10-39)9-11-40)15-21(23)20-6-4-5-7-22(20)29/h4-7,12-16,39-40H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318927 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CC[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C29H28ClF6N3O3/c1-27(2,16-10-17(28(31,32)33)12-18(11-16)29(34,35)36)26(42)38(3)22-14-37-25(39-9-8-24(41)23(39)15-40)13-20(22)19-6-4-5-7-21(19)30/h4-7,10-14,23-24,40-41H,8-9,15H2,1-3H3/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50318926 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES COC[C@@H]1C[C@H](CN1c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl)OC |r| Show InChI InChI=1S/C31H32ClF6N3O3/c1-29(2,18-10-19(30(33,34)35)12-20(11-18)31(36,37)38)28(42)40(3)26-15-39-27(14-24(26)23-8-6-7-9-25(23)32)41-16-22(44-5)13-21(41)17-43-4/h6-12,14-15,21-22H,13,16-17H2,1-5H3/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318916 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N(CCO)CCCO Show InChI InChI=1S/C29H30ClF6N3O3/c1-27(2,18-13-19(28(31,32)33)15-20(14-18)29(34,35)36)26(42)38(3)24-17-37-25(39(10-12-41)9-6-11-40)16-22(24)21-7-4-5-8-23(21)30/h4-5,7-8,13-17,40-41H,6,9-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50178574 (2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1 Show InChI InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1362-5 (2006) Article DOI: 10.1016/j.bmcl.2005.11.047 BindingDB Entry DOI: 10.7270/Q2D50MJP
					More data for this Ligand-Target Pair				3D Structure (crystal)

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