Compile Data Set for Download or QSAR

Found 1452 hits with Last Name = 'shu' and Initial = 'h'   

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))	BDBM50177376 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES CN1CCC(CC1)N1CC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C25H26F7N3O2/c1-34-8-6-21(7-9-34)35-14-23(33-22(35)36,17-2-4-20(26)5-3-17)15-37-13-16-10-18(24(27,28)29)12-19(11-16)25(30,31)32/h2-5,10-12,21H,6-9,13-15H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177371 (2-((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](OC[C@]1(CN(CC(N)=O)C(=O)N1)c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H20F7N3O3/c1-12(13-6-15(21(24,25)26)8-16(7-13)22(27,28)29)35-11-20(14-2-4-17(23)5-3-14)10-32(9-18(30)33)19(34)31-20/h2-8,12H,9-11H2,1H3,(H2,30,33)(H,31,34)/t12-,20-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177385 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CN(C)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H20F6N2O2/c1-13(14-8-16(20(22,23)24)10-17(9-14)21(25,26)27)31-12-19(11-29(2)18(30)28-19)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,28,30)/t13-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177387 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CNC(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N2O2/c1-12(13-7-15(19(21,22)23)9-16(8-13)20(24,25)26)30-11-18(10-27-17(29)28-18)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H2,27,28,29)/t12-,18-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177379 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES CCN1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H21F7N2O2/c1-3-31-11-20(30-19(31)32,15-4-6-18(23)7-5-15)12-33-13(2)14-8-16(21(24,25)26)10-17(9-14)22(27,28)29/h4-10,13H,3,11-12H2,1-2H3,(H,30,32)/t13-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120182 (CHEMBL107469 | N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phe...) Show SMILES CC(=O)Nc1nc(CN2CCC(CC2)NCC(=O)N2CCN(C[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)c2cc(C)cc(C)c2)cs1 Show InChI InChI=1S/C32H38Cl2N6O3S/c1-20-12-21(2)14-24(13-20)31(43)39-10-11-40(29(18-39)23-4-5-27(33)28(34)15-23)30(42)16-35-25-6-8-38(9-7-25)17-26-19-44-32(37-26)36-22(3)41/h4-5,12-15,19,25,29,35H,6-11,16-18H2,1-3H3,(H,36,37,41)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120186 (2-(1-Benzyl-piperidin-4-ylamino)-1-[(S)-2-(3,4-dic...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177386 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES Fc1ccc(cc1)C1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CN(C2CCNCC2)C(=O)N1 Show InChI InChI=1S/C24H24F7N3O2/c25-19-3-1-16(2-4-19)22(13-34(21(35)33-22)20-5-7-32-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20,32H,5-8,12-14H2,(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Prostacyclin receptor (RAT)	BDBM23954 (5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...) Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120172 ((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-27(17-23)34(44)41-14-15-42(32(22-41)26-8-9-29(36)30(37)20-26)33(43)21-39-28-10-12-40(13-11-28)35(45)31(38)19-25-6-4-3-5-7-25/h3-9,16-18,20,28,31-32,39H,10-15,19,21-22,38H2,1-2H3/t31-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120173 ((S)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@@H](N)c1ccccc1 Show InChI InChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120204 (1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2cc[nH]c2)CC1 Show InChI InChI=1S/C31H37Cl2N5O2/c1-21-13-22(2)15-25(14-21)31(40)37-11-12-38(29(20-37)24-3-4-27(32)28(33)16-24)30(39)18-35-26-6-9-36(10-7-26)19-23-5-8-34-17-23/h3-5,8,13-17,26,29,34-35H,6-7,9-12,18-20H2,1-2H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120181 (CHEMBL108997 | N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phe...) Show SMILES CC(=O)Nc1ccc(CN2CCC(CC2)NCC(=O)N2CCN(C[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-28(17-23)35(45)41-14-15-42(33(22-41)27-6-9-31(36)32(37)19-27)34(44)20-38-29-10-12-40(13-11-29)21-26-4-7-30(8-5-26)39-25(3)43/h4-9,16-19,29,33,38H,10-15,20-22H2,1-3H3,(H,39,43)/t33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177384 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CNC(=O)N1)c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F7N2O2/c1-11(12-6-14(19(22,23)24)8-15(7-12)20(25,26)27)31-10-18(9-28-17(30)29-18)13-2-4-16(21)5-3-13/h2-8,11H,9-10H2,1H3,(H2,28,29,30)/t11-,18-/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177383 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES Fc1ccc(cc1)C1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CN(CCN2CCCC2)C(=O)N1 Show InChI InChI=1S/C25H26F7N3O2/c26-21-5-3-18(4-6-21)23(15-35(22(36)33-23)10-9-34-7-1-2-8-34)16-37-14-17-11-19(24(27,28)29)13-20(12-17)25(30,31)32/h3-6,11-13H,1-2,7-10,14-16H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177380 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES CCN1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccccc1 Show InChI InChI=1S/C22H22F6N2O2/c1-3-30-12-20(29-19(30)31,16-7-5-4-6-8-16)13-32-14(2)15-9-17(21(23,24)25)11-18(10-15)22(26,27)28/h4-11,14H,3,12-13H2,1-2H3,(H,29,31)/t14-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120202 (2-(1-Benzyl-piperidin-4-ylamino)-1-[(S)-4-(3,5-bis...) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN([C@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120180 (2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177375 ((R)-4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-...) Show SMILES Fc1ccc(cc1)[C@]1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CNC(=O)N1 Show InChI InChI=1S/C19H15F7N2O2/c20-15-3-1-12(2-4-15)17(9-27-16(29)28-17)10-30-8-11-5-13(18(21,22)23)7-14(6-11)19(24,25)26/h1-7H,8-10H2,(H2,27,28,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120176 (1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ncc[nH]2)CC1 Show InChI InChI=1S/C30H36Cl2N6O2/c1-20-13-21(2)15-23(14-20)30(40)37-11-12-38(27(18-37)22-3-4-25(31)26(32)16-22)29(39)17-35-24-5-9-36(10-6-24)19-28-33-7-8-34-28/h3-4,7-8,13-16,24,27,35H,5-6,9-12,17-19H2,1-2H3,(H,33,34)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50235385 (APD-811 | Ralinepag) Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177370 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES CC(C)N1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c1-14(2)31-12-21(30-20(31)32,17-7-5-4-6-8-17)13-33-15(3)16-9-18(22(24,25)26)11-19(10-16)23(27,28)29/h4-11,14-15H,12-13H2,1-3H3,(H,30,32)/t15-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120205 ((S)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-27(17-23)34(44)41-14-15-42(32(22-41)26-8-9-29(36)30(37)20-26)33(43)21-39-28-10-12-40(13-11-28)35(45)31(38)19-25-6-4-3-5-7-25/h3-9,16-18,20,28,31-32,39H,10-15,19,21-22,38H2,1-2H3/t31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM23954 (5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...) Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120184 (2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-dibromo...) Show SMILES Clc1ccc(cc1Cl)C1CN(CCN1C(=O)CNC1CCN(Cc2ccccc2)CC1)C(=O)c1cc(Br)cc(Br)c1 Show InChI InChI=1S/C31H32Br2Cl2N4O2/c32-24-14-23(15-25(33)17-24)31(41)38-12-13-39(29(20-38)22-6-7-27(34)28(35)16-22)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120175 (1-[4-Benzoyl-2-(3,4-dichloro-phenyl)-piperazin-1-y...) Show SMILES Clc1ccc(cc1Cl)C1CN(CCN1C(=O)CNC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H34Cl2N4O2/c32-27-12-11-25(19-28(27)33)29-22-36(31(39)24-9-5-2-6-10-24)17-18-37(29)30(38)20-34-26-13-15-35(16-14-26)21-23-7-3-1-4-8-23/h1-12,19,26,29,34H,13-18,20-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120183 (2-(1-Benzyl-piperidin-4-ylamino)-1-[(R)-2-(3,4-dic...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177374 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CN(C)C(=O)N1)c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F7N2O2/c1-12(13-7-15(20(23,24)25)9-16(8-13)21(26,27)28)32-11-19(10-30(2)18(31)29-19)14-3-5-17(22)6-4-14/h3-9,12H,10-11H2,1-2H3,(H,29,31)/t12-,19-/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	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177378 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES Fc1ccc(cc1)C1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CNC(=O)N1 Show InChI InChI=1S/C19H15F7N2O2/c20-15-3-1-12(2-4-15)17(9-27-16(29)28-17)10-30-8-11-5-13(18(21,22)23)7-14(6-11)19(24,25)26/h1-7H,8-10H2,(H2,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50256014 (CHEMBL480591 | propyl 5-(4-chlorophenyl)-1-(2,4-di...) Show SMILES CCCOC(=O)c1nnn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H14Cl3N3O2/c1-2-9-26-18(25)16-17(11-3-5-12(19)6-4-11)24(23-22-16)15-8-7-13(20)10-14(15)21/h3-8,10H,2,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from CB1 receptor in rat cerebellum homogenate				Bioorg Med Chem Lett 19: 891-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.110 BindingDB Entry DOI: 10.7270/Q2NS0TR7
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120180 (2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120190 (2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-bis-tri...) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177377 ((R)-4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-...) Show SMILES FC(F)(F)c1cc(COC[C@]2(CNC(=O)N2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H16F6N2O2/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-29-11-17(10-26-16(28)27-17)13-4-2-1-3-5-13/h1-8H,9-11H2,(H2,26,27,28)/t17-/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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177382 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES Fc1ccc(cc1)C1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CN(C2CCOCC2)C(=O)N1 Show InChI InChI=1S/C24H23F7N2O3/c25-19-3-1-16(2-4-19)22(13-33(21(34)32-22)20-5-7-35-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20H,5-8,12-14H2,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50235370 (CHEMBL3933704) Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)| Show InChI InChI=1S/C23H26FNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120189 ((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C35H41Cl2N5O4/c1-22-15-23(2)17-26(16-22)34(45)41-13-14-42(32(21-41)25-5-8-29(36)30(37)19-25)33(44)20-39-27-9-11-40(12-10-27)35(46)31(38)18-24-3-6-28(43)7-4-24/h3-8,15-17,19,27,31-32,39,43H,9-14,18,20-21,38H2,1-2H3/t31-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120200 (2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...) Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H38Cl2N4O4/c1-42-27-16-25(17-28(19-27)43-2)33(41)38-14-15-39(31(22-38)24-8-9-29(34)30(35)18-24)32(40)20-36-26-10-12-37(13-11-26)21-23-6-4-3-5-7-23/h3-9,16-19,26,31,36H,10-15,20-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120193 (2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-dichlor...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C31H32Cl4N4O2/c32-24-14-23(15-25(33)17-24)31(41)38-12-13-39(29(20-38)22-6-7-27(34)28(35)16-22)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120206 (2-(1-Benzyl-piperidin-4-ylamino)-1-[(R)-4-(3,5-bis...) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50256081 (CHEMBL474442 | phenyl 5-(4-chlorophenyl)-1-(2,4-di...) Show SMILES Clc1ccc(cc1)-c1c(nnn1-c1ccc(Cl)cc1Cl)C(=O)Oc1ccccc1 Show InChI InChI=1S/C21H12Cl3N3O2/c22-14-8-6-13(7-9-14)20-19(21(28)29-16-4-2-1-3-5-16)25-26-27(20)18-11-10-15(23)12-17(18)24/h1-12H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from CB1 receptor in rat cerebellum homogenate				Bioorg Med Chem Lett 19: 891-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.110 BindingDB Entry DOI: 10.7270/Q2NS0TR7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120172 ((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-27(17-23)34(44)41-14-15-42(32(22-41)26-8-9-29(36)30(37)20-26)33(43)21-39-28-10-12-40(13-11-28)35(45)31(38)19-25-6-4-3-5-7-25/h3-9,16-18,20,28,31-32,39H,10-15,19,21-22,38H2,1-2H3/t31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120198 (2-[Bis-(4-hydroxy-4-phenyl-piperidin-1-yl)-amino]-...) Show SMILES OC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccccc1)N1CCC(O)(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C43H47F6N5O3/c44-42(45,46)36-26-32(27-37(28-36)43(47,48)49)29-50-24-25-53(38(30-50)33-10-4-1-5-11-33)39(55)31-54(51-20-16-40(56,17-21-51)34-12-6-2-7-13-34)52-22-18-41(57,19-23-52)35-14-8-3-9-15-35/h1-15,26-28,38,56-57H,16-25,29-31H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120193 (2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-dichlor...) Show SMILES Clc1cc(Cl)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C31H32Cl4N4O2/c32-24-14-23(15-25(33)17-24)31(41)38-12-13-39(29(20-38)22-6-7-27(34)28(35)16-22)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120184 (2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-dibromo...) Show SMILES Clc1ccc(cc1Cl)C1CN(CCN1C(=O)CNC1CCN(Cc2ccccc2)CC1)C(=O)c1cc(Br)cc(Br)c1 Show InChI InChI=1S/C31H32Br2Cl2N4O2/c32-24-14-23(15-25(33)17-24)31(41)38-12-13-39(29(20-38)22-6-7-27(34)28(35)16-22)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120181 (CHEMBL108997 | N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phe...) Show SMILES CC(=O)Nc1ccc(CN2CCC(CC2)NCC(=O)N2CCN(C[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-28(17-23)35(45)41-14-15-42(33(22-41)27-6-9-31(36)32(37)19-27)34(44)20-38-29-10-12-40(13-11-29)21-26-4-7-30(8-5-26)39-25(3)43/h4-9,16-19,29,33,38H,10-15,20-22H2,1-3H3,(H,39,43)/t33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120197 ((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)c1ccccc1 Show InChI InChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32+/m0/s1	PDB Reactome pathway 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120192 (2-[N'-(1-Benzyl-piperidin-4-yl)-N-(amino-1-Benzyl-...) Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(NC2CCN(Cc3ccccc3)CC2)NC2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C45H53F6N7O/c46-44(47,48)38-26-36(27-39(28-38)45(49,50)51)31-56-24-25-57(42(32-56)37-14-8-3-9-15-37)43(59)33-58(52-40-16-20-54(21-17-40)29-34-10-4-1-5-11-34)53-41-18-22-55(23-19-41)30-35-12-6-2-7-13-35/h1-15,26-28,40-42,52-53H,16-25,29-33H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120190 (2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-bis-tri...) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50120195 (1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCNCC1 Show InChI InChI=1S/C26H32Cl2N4O2/c1-17-11-18(2)13-20(12-17)26(34)31-9-10-32(25(33)15-30-21-5-7-29-8-6-21)24(16-31)19-3-4-22(27)23(28)14-19/h3-4,11-14,21,24,29-30H,5-10,15-16H2,1-2H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50120205 ((S)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-27(17-23)34(44)41-14-15-42(32(22-41)26-8-9-29(36)30(37)20-26)33(43)21-39-28-10-12-40(13-11-28)35(45)31(38)19-25-6-4-3-5-7-25/h3-9,16-18,20,28,31-32,39H,10-15,19,21-22,38H2,1-2H3/t31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1452 total )  |  Next  |  Last  >>

Jump to: