Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50010872   

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))	BDBM50099537 (3-[2-(4-Chloro-phenyl)-1,5-dimethyl-1H-indol-3-yl]...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(C)c2ccc(C)cc12 Show InChI InChI=1S/C30H32ClN3O2/c1-21-8-14-26-25(20-21)24(30(32(26)2)22-9-11-23(31)12-10-22)13-15-29(35)34-18-16-33(17-19-34)27-6-4-5-7-28(27)36-3/h4-12,14,20H,13,15-19H2,1-3H3	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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099549 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[5-chloro-...) Show SMILES Cc1ccc(cn1)-c1c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc2n1C Show InChI InChI=1S/C30H32ClN3O2/c1-21-8-9-23(20-32-21)29-25(26-18-24(31)10-12-27(26)33(29)2)11-13-28(35)34-16-14-30(36,15-17-34)19-22-6-4-3-5-7-22/h3-10,12,18,20,36H,11,13-17,19H2,1-2H3	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	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099554 (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(cn1)C(F)(F)F Show InChI InChI=1S/C30H29ClF3N3O2/c1-36-26-11-8-22(31)17-24(26)23(28(36)25-10-7-21(19-35-25)30(32,33)34)9-12-27(38)37-15-13-29(39,14-16-37)18-20-5-3-2-4-6-20/h2-8,10-11,17,19,39H,9,12-16,18H2,1H3	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	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099541 (3-[2-(4-Bromo-phenyl)-1,5-dimethyl-1H-indol-3-yl]-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Br)cc2)n(C)c2ccc(C)cc12 Show InChI InChI=1S/C30H32BrN3O2/c1-21-8-14-26-25(20-21)24(30(32(26)2)22-9-11-23(31)12-10-22)13-15-29(35)34-18-16-33(17-19-34)27-6-4-5-7-28(27)36-3/h4-12,14,20H,13,15-19H2,1-3H3	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099544 (3-[1,5-Dimethyl-2-(4-trifluoromethyl-phenyl)-1H-in...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(cc2)C(F)(F)F)n(C)c2ccc(C)cc12 Show InChI InChI=1S/C31H32F3N3O2/c1-21-8-14-26-25(20-21)24(30(35(26)2)22-9-11-23(12-10-22)31(32,33)34)13-15-29(38)37-18-16-36(17-19-37)27-6-4-5-7-28(27)39-3/h4-12,14,20H,13,15-19H2,1-3H3	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099542 (3-[2-(4-Isopropyl-phenyl)-5-methyl-1H-indol-3-yl]-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C32H37N3O2/c1-22(2)24-10-12-25(13-11-24)32-26(27-21-23(3)9-15-28(27)33-32)14-16-31(36)35-19-17-34(18-20-35)29-7-5-6-8-30(29)37-4/h5-13,15,21-22,33H,14,16-20H2,1-4H3	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099550 (3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(C)c2ccc(Cl)cc12 Show InChI InChI=1S/C29H29Cl2N3O2/c1-32-25-13-11-22(31)19-24(25)23(29(32)20-7-9-21(30)10-8-20)12-14-28(35)34-17-15-33(16-18-34)26-5-3-4-6-27(26)36-2/h3-11,13,19H,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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099536 (3-[2-(4-Isopropyl-phenyl)-1,5-dimethyl-1H-indol-3-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(cc2)C(C)C)n(C)c2ccc(C)cc12 Show InChI InChI=1S/C33H39N3O2/c1-23(2)25-11-13-26(14-12-25)33-27(28-22-24(3)10-16-29(28)34(33)4)15-17-32(37)36-20-18-35(19-21-36)30-8-6-7-9-31(30)38-5/h6-14,16,22-23H,15,17-21H2,1-5H3	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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099551 (1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-[5-methy...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H30F3N3O2/c1-20-7-13-25-24(19-20)23(29(34-25)21-8-10-22(11-9-21)30(31,32)33)12-14-28(37)36-17-15-35(16-18-36)26-5-3-4-6-27(26)38-2/h3-11,13,19,34H,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	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					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
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					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
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099545 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-(5-chloro-...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc12)-c1cccnc1 Show InChI InChI=1S/C29H30ClN3O2/c1-32-26-11-9-23(30)18-25(26)24(28(32)22-8-5-15-31-20-22)10-12-27(34)33-16-13-29(35,14-17-33)19-21-6-3-2-4-7-21/h2-9,11,15,18,20,35H,10,12-14,16-17,19H2,1H3	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	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099556 (3-[5-Chloro-2-(4-chloro-phenyl)-1-(2-hydroxy-ethyl...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(CCO)c2ccc(Cl)cc12 Show InChI InChI=1S/C30H31Cl2N3O3/c1-38-28-5-3-2-4-27(28)33-14-16-34(17-15-33)29(37)13-11-24-25-20-23(32)10-12-26(25)35(18-19-36)30(24)21-6-8-22(31)9-7-21/h2-10,12,20,36H,11,13-19H2,1H3	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	0.970	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					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
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099543 (3-[2-(4-Methoxy-phenyl)-5-methyl-1H-indol-3-yl]-1-...) Show SMILES COc1ccc(cc1)-c1[nH]c2ccc(C)cc2c1CCC(=O)N1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C30H33N3O3/c1-21-8-14-26-25(20-21)24(30(31-26)22-9-11-23(35-2)12-10-22)13-15-29(34)33-18-16-32(17-19-33)27-6-4-5-7-28(27)36-3/h4-12,14,20,31H,13,15-19H2,1-3H3	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099547 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-(5-chloro-...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc12)-c1ccccn1 Show InChI InChI=1S/C29H30ClN3O2/c1-32-26-12-10-22(30)19-24(26)23(28(32)25-9-5-6-16-31-25)11-13-27(34)33-17-14-29(35,15-18-33)20-21-7-3-2-4-8-21/h2-10,12,16,19,35H,11,13-15,17-18,20H2,1H3	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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099555 (3-[5-Chloro-2-(4-chloro-phenyl)-1-isopropyl-1H-ind...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(C(C)C)c2ccc(Cl)cc12 Show InChI InChI=1S/C31H33Cl2N3O2/c1-21(2)36-27-14-12-24(33)20-26(27)25(31(36)22-8-10-23(32)11-9-22)13-15-30(37)35-18-16-34(17-19-35)28-6-4-5-7-29(28)38-3/h4-12,14,20-21H,13,15-19H2,1-3H3	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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099540 (1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-(5-methy...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccccc1 Show InChI InChI=1S/C29H31N3O2/c1-21-12-14-25-24(20-21)23(29(30-25)22-8-4-3-5-9-22)13-15-28(33)32-18-16-31(17-19-32)26-10-6-7-11-27(26)34-2/h3-12,14,20,30H,13,15-19H2,1-2H3	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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099535 (3-[2-(4-tert-Butyl-phenyl)-5-methyl-1H-indol-3-yl]...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C33H39N3O2/c1-23-10-16-28-27(22-23)26(32(34-28)24-11-13-25(14-12-24)33(2,3)4)15-17-31(37)36-20-18-35(19-21-36)29-8-6-7-9-30(29)38-5/h6-14,16,22,34H,15,17-21H2,1-5H3	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
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099553 (3-(2-Biphenyl-4-yl-5-methyl-1H-indol-3-yl)-1-[4-(2...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H35N3O2/c1-25-12-18-31-30(24-25)29(35(36-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26)17-19-34(39)38-22-20-37(21-23-38)32-10-6-7-11-33(32)40-2/h3-16,18,24,36H,17,19-23H2,1-2H3	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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099539 (3-[2-(3-Methoxy-phenyl)-5-methyl-1H-indol-3-yl]-1-...) Show SMILES COc1cccc(c1)-c1[nH]c2ccc(C)cc2c1CCC(=O)N1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C30H33N3O3/c1-21-11-13-26-25(19-21)24(30(31-26)22-7-6-8-23(20-22)35-2)12-14-29(34)33-17-15-32(16-18-33)27-9-4-5-10-28(27)36-3/h4-11,13,19-20,31H,12,14-18H2,1-3H3	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099546 ((5-Chloro-2-(4-chloro-phenyl)-3-{3-[4-(2-methoxy-p...) Show SMILES COC(=O)Cn1c(c(CCC(=O)N2CCN(CC2)c2ccccc2OC)c2cc(Cl)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H31Cl2N3O4/c1-39-28-6-4-3-5-27(28)34-15-17-35(18-16-34)29(37)14-12-24-25-19-23(33)11-13-26(25)36(20-30(38)40-2)31(24)21-7-9-22(32)10-8-21/h3-11,13,19H,12,14-18,20H2,1-2H3	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099538 (11-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-oxo-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c2-c3ccccc3C(=O)n2c2ccc(C)cc12 Show InChI InChI=1S/C30H29N3O3/c1-20-11-13-25-24(19-20)22(29-21-7-3-4-8-23(21)30(35)33(25)29)12-14-28(34)32-17-15-31(16-18-32)26-9-5-6-10-27(26)36-2/h3-11,13,19H,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	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Tested for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells at 100 nM				Bioorg Med Chem Lett 11: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099552 (3-[2-(2-Methoxy-phenyl)-5-methyl-1H-indol-3-yl]-1-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccccc1OC Show InChI InChI=1S/C30H33N3O3/c1-21-12-14-25-24(20-21)22(30(31-25)23-8-4-6-10-27(23)35-2)13-15-29(34)33-18-16-32(17-19-33)26-9-5-7-11-28(26)36-3/h4-12,14,20,31H,13,15-19H2,1-3H3	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	82	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099548 (3-[2-(2-Bromo-phenyl)-5-methyl-1H-indol-3-yl]-1-[4...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccccc1Br Show InChI InChI=1S/C29H30BrN3O2/c1-20-11-13-25-23(19-20)21(29(31-25)22-7-3-4-8-24(22)30)12-14-28(34)33-17-15-32(16-18-33)26-9-5-6-10-27(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	89	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099534 (3-[1-Benzyl-5-chloro-2-(4-chloro-phenyl)-1H-indol-...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C35H33Cl2N3O2/c1-42-33-10-6-5-9-32(33)38-19-21-39(22-20-38)34(41)18-16-29-30-23-28(37)15-17-31(30)40(24-25-7-3-2-4-8-25)35(29)26-11-13-27(36)14-12-26/h2-15,17,23H,16,18-22,24H2,1H3	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50099533 (3-[5-Chloro-2-(4-chloro-phenyl)-1-cyclopropylmethy...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(CC2CC2)c2ccc(Cl)cc12 Show InChI InChI=1S/C32H33Cl2N3O2/c1-39-30-5-3-2-4-29(30)35-16-18-36(19-17-35)31(38)15-13-26-27-20-25(34)12-14-28(27)37(21-22-6-7-22)32(26)23-8-10-24(33)11-9-23/h2-5,8-12,14,20,22H,6-7,13,15-19,21H2,1H3	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	103	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair