Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50010871   

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))	BDBM50099511 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[5-chloro-...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)cnc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29Cl2N3O2/c1-33-27(21-7-9-22(30)10-8-21)24(25-17-23(31)19-32-28(25)33)11-12-26(35)34-15-13-29(36,14-16-34)18-20-5-3-2-4-6-20/h2-10,17,19,36H,11-16,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099516 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[5-chloro-...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H30Cl2N2O2/c1-33-27-13-11-24(32)19-26(27)25(29(33)22-7-9-23(31)10-8-22)12-14-28(35)34-17-15-30(36,16-18-34)20-21-5-3-2-4-6-21/h2-11,13,19,36H,12,14-18,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099514 (3-[5-Acetyl-2-(4-chloro-phenyl)-1-methyl-1H-indol-...) Show SMILES CC(=O)c1ccc2n(C)c(c(CCC(=O)N3CCC(O)(Cc4ccccc4)CC3)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C32H33ClN2O3/c1-22(36)25-10-14-29-28(20-25)27(31(34(29)2)24-8-11-26(33)12-9-24)13-15-30(37)35-18-16-32(38,17-19-35)21-23-6-4-3-5-7-23/h3-12,14,20,38H,13,15-19,21H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099528 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[5-bromo-2...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Br)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H30BrClN2O2/c1-33-27-13-9-23(31)19-26(27)25(29(33)22-7-10-24(32)11-8-22)12-14-28(35)34-17-15-30(36,16-18-34)20-21-5-3-2-4-6-21/h2-11,13,19,36H,12,14-18,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099506 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[5-chloro-...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ncc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29Cl2N3O2/c1-33-25-19-32-26(31)17-24(25)23(28(33)21-7-9-22(30)10-8-21)11-12-27(35)34-15-13-29(36,14-16-34)18-20-5-3-2-4-6-20/h2-10,17,19,36H,11-16,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099510 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(C=C)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C32H33ClN2O2/c1-3-23-9-15-29-28(21-23)27(31(34(29)2)25-10-12-26(33)13-11-25)14-16-30(36)35-19-17-32(37,18-20-35)22-24-7-5-4-6-8-24/h3-13,15,21,37H,1,14,16-20,22H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099512 (3-[2-(4-Chloro-phenyl)-5-methyl-1H-indol-3-yl]-1-[...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H30ClN3O2/c1-20-7-13-25-24(19-20)23(29(31-25)21-8-10-22(30)11-9-21)12-14-28(34)33-17-15-32(16-18-33)26-5-3-4-6-27(26)35-2/h3-11,13,19,31H,12,14-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099519 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[6-chloro-...) Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)CCc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H27Cl2N3O2/c29-22-8-6-21(7-9-22)27-24(33-19-23(30)10-12-25(33)31-27)11-13-26(34)32-16-14-28(35,15-17-32)18-20-4-2-1-3-5-20/h1-10,12,19,35H,11,13-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099507 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-c1ccco1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C34H33ClN2O3/c1-36-30-15-11-26(31-8-5-21-40-31)22-29(30)28(33(36)25-9-12-27(35)13-10-25)14-16-32(38)37-19-17-34(39,18-20-37)23-24-6-3-2-4-7-24/h2-13,15,21-22,39H,14,16-20,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099524 (3-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-1-[...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H27Cl2N3O2/c1-35-26-5-3-2-4-25(26)32-14-16-33(17-15-32)27(34)13-11-22-23-18-21(30)10-12-24(23)31-28(22)19-6-8-20(29)9-7-19/h2-10,12,18,31H,11,13-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099509 (3-[2-(4-Bromo-phenyl)-5-methyl-1H-indol-3-yl]-1-[4...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H30BrN3O2/c1-20-7-13-25-24(19-20)23(29(31-25)21-8-10-22(30)11-9-21)12-14-28(34)33-17-15-32(16-18-33)26-5-3-4-6-27(26)35-2/h3-11,13,19,31H,12,14-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099513 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-c1ccccn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H34ClN3O2/c1-38-32-16-12-27(31-9-5-6-20-37-31)23-30(32)29(34(38)26-10-13-28(36)14-11-26)15-17-33(40)39-21-18-35(41,19-22-39)24-25-7-3-2-4-8-25/h2-14,16,20,23,41H,15,17-19,21-22,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099521 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-n1cccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C34H34ClN3O2/c1-36-31-15-13-28(37-19-5-6-20-37)23-30(31)29(33(36)26-9-11-27(35)12-10-26)14-16-32(39)38-21-17-34(40,18-22-38)24-25-7-3-2-4-8-25/h2-13,15,19-20,23,40H,14,16-18,21-22,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099522 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[5-chloro-...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2nc(Cl)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29Cl2N3O2/c1-33-24-12-13-25(31)32-27(24)23(28(33)21-7-9-22(30)10-8-21)11-14-26(35)34-17-15-29(36,16-18-34)19-20-5-3-2-4-6-20/h2-10,12-13,36H,11,14-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099520 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)N1CCCCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H40ClN3O2/c1-37-32-16-14-29(38-20-6-3-7-21-38)24-31(32)30(34(37)27-10-12-28(36)13-11-27)15-17-33(40)39-22-18-35(41,19-23-39)25-26-8-4-2-5-9-26/h2,4-5,8-14,16,24,41H,3,6-7,15,17-23,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099508 (3-[6-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-1-[...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2cc(Cl)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H27Cl2N3O2/c1-35-26-5-3-2-4-25(26)32-14-16-33(17-15-32)27(34)13-12-23-22-11-10-21(30)18-24(22)31-28(23)19-6-8-20(29)9-7-19/h2-11,18,31H,12-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099531 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-c1cccnc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H34ClN3O2/c1-38-32-15-11-27(28-8-5-19-37-24-28)22-31(32)30(34(38)26-9-12-29(36)13-10-26)14-16-33(40)39-20-17-35(41,18-21-39)23-25-6-3-2-4-7-25/h2-13,15,19,22,24,41H,14,16-18,20-21,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099530 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-c1ccncc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H34ClN3O2/c1-38-32-13-9-28(26-15-19-37-20-16-26)23-31(32)30(34(38)27-7-10-29(36)11-8-27)12-14-33(40)39-21-17-35(41,18-22-39)24-25-5-3-2-4-6-25/h2-11,13,15-16,19-20,23,41H,12,14,17-18,21-22,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099517 (3-(5-Chloro-2-phenyl-1H-indol-3-yl)-1-[4-(2-methox...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccccc1 Show InChI InChI=1S/C28H28ClN3O2/c1-34-26-10-6-5-9-25(26)31-15-17-32(18-16-31)27(33)14-12-22-23-19-21(29)11-13-24(23)30-28(22)20-7-3-2-4-8-20/h2-11,13,19,30H,12,14-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099532 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)N1CCOCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C34H38ClN3O3/c1-36-31-13-11-28(37-19-21-41-22-20-37)23-30(31)29(33(36)26-7-9-27(35)10-8-26)12-14-32(39)38-17-15-34(40,16-18-38)24-25-5-3-2-4-6-25/h2-11,13,23,40H,12,14-22,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099523 (3-[2-(4-Chloro-phenyl)-5-trifluoromethoxy-1H-indol...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H27ClF3N3O3/c1-38-26-5-3-2-4-25(26)35-14-16-36(17-15-35)27(37)13-11-22-23-18-21(39-29(31,32)33)10-12-24(23)34-28(22)19-6-8-20(30)9-7-19/h2-10,12,18,34H,11,13-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099525 (3-[5,7-Dichloro-2-(4-chloro-phenyl)-1H-indol-3-yl]...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2c(Cl)cc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H26Cl3N3O2/c1-36-25-5-3-2-4-24(25)33-12-14-34(15-13-33)26(35)11-10-21-22-16-20(30)17-23(31)28(22)32-27(21)18-6-8-19(29)9-7-18/h2-9,16-17,32H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099518 (3-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-1-[4-(2-meth...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H28ClN3O2/c1-34-26-9-5-4-8-25(26)31-16-18-32(19-17-31)27(33)15-14-23-22-6-2-3-7-24(22)30-28(23)20-10-12-21(29)13-11-20/h2-13,30H,14-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099527 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cnccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H30ClN3O2/c1-32-26-13-16-31-20-25(26)24(28(32)22-7-9-23(30)10-8-22)11-12-27(34)33-17-14-29(35,15-18-33)19-21-5-3-2-4-6-21/h2-10,13,16,20,35H,11-12,14-15,17-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099526 (3-(5-Fluoro-2-phenyl-1H-indol-3-yl)-1-[4-(2-methox...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C28H28FN3O2/c1-34-26-10-6-5-9-25(26)31-15-17-32(18-16-31)27(33)14-12-22-23-19-21(29)11-13-24(23)30-28(22)20-7-3-2-4-8-20/h2-11,13,19,30H,12,14-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099529 (3-[4,6-Dichloro-2-(4-chloro-phenyl)-1H-indol-3-yl]...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H26Cl3N3O2/c1-36-25-5-3-2-4-24(25)33-12-14-34(15-13-33)26(35)11-10-21-27-22(31)16-20(30)17-23(27)32-28(21)18-6-8-19(29)9-7-18/h2-9,16-17,32H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099515 (3-[4-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-1-[...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2cccc(Cl)c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H27Cl2N3O2/c1-35-25-8-3-2-7-24(25)32-15-17-33(18-16-32)26(34)14-13-21-27-22(30)5-4-6-23(27)31-28(21)19-9-11-20(29)12-10-19/h2-12,31H,13-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair