Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50014316   

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))	BDBM50140783 (2-Hydroxymethyl-4-phenyl-quinoline-3-carboxylic ac...) Show SMILES OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H18F6N2O2/c27-25(28,29)17-10-15(11-18(12-17)26(30,31)32)13-33-24(36)23-21(14-35)34-20-9-5-4-8-19(20)22(23)16-6-2-1-3-7-16/h1-12,35H,13-14H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.000100	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140770 (2-Aminomethyl-4-phenyl-quinoline-3-carboxylic acid...) Show SMILES NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H19F6N3O/c27-25(28,29)17-10-15(11-18(12-17)26(30,31)32)14-34-24(36)23-21(13-33)35-20-9-5-4-8-19(20)22(23)16-6-2-1-3-7-16/h1-12H,13-14,33H2,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00170	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140773 (2-Bromomethyl-4-phenyl-quinoline-3-carboxylic acid...) Show SMILES FC(F)(F)c1cc(CNC(=O)c2c(CBr)nc3ccccc3c2-c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H17BrF6N2O/c27-13-21-23(22(16-6-2-1-3-7-16)19-8-4-5-9-20(19)35-21)24(36)34-14-15-10-17(25(28,29)30)12-18(11-15)26(31,32)33/h1-12H,13-14H2,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140785 (2-Methylaminomethyl-4-phenyl-quinoline-3-carboxyli...) Show SMILES CNCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H21F6N3O/c1-34-15-22-24(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)36-22)25(37)35-14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h2-13,34H,14-15H2,1H3,(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140786 (4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trif...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C26H18F6N2O/c1-34(15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(35)21-14-33-22-10-6-5-9-20(22)23(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140772 (2-Methyl-4-phenyl-quinoline-3-carboxylic acid 3,5-...) Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H18F6N2O/c1-15-22(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)34-15)24(35)33-14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32/h2-13H,14H2,1H3,(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	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50001450 ((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/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	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140774 (2-Dimethylaminomethyl-4-phenyl-quinoline-3-carboxy...) Show SMILES CN(C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H23F6N3O/c1-37(2)16-23-25(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)36-23)26(38)35-15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34/h3-14H,15-16H2,1-2H3,(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140771 (((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES Ic1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |r,wU:9.9,16.19,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(23.35,-28.77,;24.59,-29.47,;25.82,-28.74,;27.08,-29.44,;27.09,-30.88,;25.86,-31.6,;24.61,-30.89,;23.38,-31.62,;23.39,-33.05,;22.16,-33.77,;20.81,-33.16,;19.33,-33.8,;19.53,-35.19,;21.07,-34.54,;21.32,-32.62,;20.87,-31.51,;22.44,-35.17,;23.21,-36.5,;24.75,-36.5,;25.52,-37.85,;27.07,-37.85,;27.84,-36.5,;27.07,-35.16,;25.52,-35.17,;22.43,-37.84,;20.88,-37.84,;20.11,-39.17,;20.88,-40.52,;22.44,-40.51,;23.21,-39.17,)| Show InChI InChI=1S/C27H29IN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140776 (2-Methyl-4-phenyl-quinoline-3-carboxylic acid (3,5...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C27H20F6N2O/c1-16-23(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)34-16)25(36)35(2)15-17-12-19(26(28,29)30)14-20(13-17)27(31,32)33/h3-14H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140788 (2-Aminomethyl-4-phenyl-quinoline-3-carboxylic acid...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(CN)nc2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C27H21F6N3O/c1-36(15-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33)25(37)24-22(14-34)35-21-10-6-5-9-20(21)23(24)17-7-3-2-4-8-17/h2-13H,14-15,34H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140781 (2-Methoxymethyl-4-phenyl-quinoline-3-carboxylic ac...) Show SMILES COCc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H22F6N2O2/c1-36(15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34)26(37)25-23(16-38-2)35-22-11-7-6-10-21(22)24(25)18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140774 (2-Dimethylaminomethyl-4-phenyl-quinoline-3-carboxy...) Show SMILES CN(C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H23F6N3O/c1-37(2)16-23-25(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)36-23)26(38)35-15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34/h3-14H,15-16H2,1-2H3,(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of labeled SP total binding against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells by the second binding component				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140782 (2-Hydroxymethyl-4-phenyl-quinoline-3-carboxylic ac...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(CO)nc2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C27H20F6N2O2/c1-35(14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33)25(37)24-22(15-36)34-21-10-6-5-9-20(21)23(24)17-7-3-2-4-8-17/h2-13,36H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140780 (2-(tert-Butyl-dimethyl-silanyloxymethyl)-4-phenyl-...) Show SMILES CC(C)(C)[Si](C)(C)OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H32F6N2O2Si/c1-30(2,3)43(4,5)42-19-26-28(27(21-11-7-6-8-12-21)24-13-9-10-14-25(24)40-26)29(41)39-18-20-15-22(31(33,34)35)17-23(16-20)32(36,37)38/h6-17H,18-19H2,1-5H3,(H,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140779 (2-Chloromethyl-4-phenyl-quinoline-3-carboxylic aci...) Show SMILES FC(F)(F)c1cc(CNC(=O)c2c(CCl)nc3ccccc3c2-c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H17ClF6N2O/c27-13-21-23(22(16-6-2-1-3-7-16)19-8-4-5-9-20(19)35-21)24(36)34-14-15-10-17(25(28,29)30)12-18(11-15)26(31,32)33/h1-12H,13-14H2,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140777 (2-Bromomethyl-4-phenyl-quinoline-3-carboxylic acid...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(CBr)nc2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C27H19BrF6N2O/c1-36(15-16-11-18(26(29,30)31)13-19(12-16)27(32,33)34)25(37)24-22(14-28)35-21-10-6-5-9-20(21)23(24)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140787 (2-[(Benzyl-methyl-amino)-methyl]-4-phenyl-quinolin...) Show SMILES CN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C34H27F6N3O/c1-43(20-22-10-4-2-5-11-22)21-29-31(30(24-12-6-3-7-13-24)27-14-8-9-15-28(27)42-29)32(44)41-19-23-16-25(33(35,36)37)18-26(17-23)34(38,39)40/h2-18H,19-21H2,1H3,(H,41,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140784 (2-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-4-ph...) Show SMILES FC(F)(F)c1cc(CNC(=O)c2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2-c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C34H21F6N3O3/c35-33(36,37)21-14-19(15-22(16-21)34(38,39)40)17-41-30(44)29-27(18-43-31(45)23-10-4-5-11-24(23)32(43)46)42-26-13-7-6-12-25(26)28(29)20-8-2-1-3-9-20/h1-16H,17-18H2,(H,41,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140775 (4-Phenyl-quinoline-3-carboxylic acid 3,5-bis-trifl...) Show SMILES FC(F)(F)c1cc(CNC(=O)c2cnc3ccccc3c2-c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H16F6N2O/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)13-33-23(34)20-14-32-21-9-5-4-8-19(21)22(20)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140778 (2-(4-Methyl-piperazin-1-ylmethyl)-4-phenyl-quinoli...) Show SMILES CN1CCN(Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1 Show InChI InChI=1S/C31H28F6N4O/c1-40-11-13-41(14-12-40)19-26-28(27(21-7-3-2-4-8-21)24-9-5-6-10-25(24)39-26)29(42)38-18-20-15-22(30(32,33)34)17-23(16-20)31(35,36)37/h2-10,15-17H,11-14,18-19H2,1H3,(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50140772 (2-Methyl-4-phenyl-quinoline-3-carboxylic acid 3,5-...) Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H18F6N2O/c1-15-22(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)34-15)24(35)33-14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32/h2-13H,14H2,1H3,(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	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of labeled SP total binding against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells by the second binding component				J Med Chem 47: 1315-8 (2004) Article DOI: 10.1021/jm034219a BindingDB Entry DOI: 10.7270/Q2F76C0W
					More data for this Ligand-Target Pair