Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'bertrand' and Initial = 'c'   

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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	5.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	17.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	17.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	21.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	26.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	31.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	80.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50018056 ((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...) Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	99.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106901 (CHEMBL104954 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((...) Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+/t21-,22+/m0/s1	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranes				Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115967 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(O)C(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H17ClF6N2O3/c1-32(21(34)15-9-16(23(26,27)28)12-17(10-15)24(29,30)31)20-11-14(22(35)33(2)36)5-8-19(20)13-3-6-18(25)7-4-13/h3-12,36H,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
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115966 (4'-Chloro-2-(3,4,5-trimethoxy-benzoylamino)-biphen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCNC1=O Show InChI InChI=1S/C29H30ClN3O6/c1-37-24-15-19(16-25(38-2)26(24)39-3)28(35)33-23-14-18(9-12-21(23)17-7-10-20(30)11-8-17)27(34)32-22-6-4-5-13-31-29(22)36/h7-12,14-16,22H,4-6,13H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50089567 (CHEMBL35857 | N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-...) Show SMILES CN(C(Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+	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	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranes				Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403920 (CHEMBL2112212) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H23Cl2F6N3O3/c1-40(27(43)17-10-18(28(32,33)34)14-19(11-17)29(35,36)37)24-13-16(25(41)39-23-4-2-3-9-38-26(23)42)5-7-20(24)15-6-8-21(30)22(31)12-15/h5-8,10-14,23H,2-4,9H2,1H3,(H,38,42)(H,39,41)/t23-/m1/s1	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115965 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C)CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H26ClF6N3O2/c1-37(2)12-4-11-36-25(39)18-7-10-23(17-5-8-22(29)9-6-17)24(15-18)38(3)26(40)19-13-20(27(30,31)32)16-21(14-19)28(33,34)35/h5-10,13-16H,4,11-12H2,1-3H3,(H,36,39)	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	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403918 (CHEMBL2113739) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H24F7N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115959 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccccc1)C(=O)NC1CCCCNC1=O Show InChI InChI=1S/C29H25F6N3O3/c1-38(27(41)19-13-20(28(30,31)32)16-21(14-19)29(33,34)35)24-15-18(10-11-22(24)17-7-3-2-4-8-17)25(39)37-23-9-5-6-12-36-26(23)40/h2-4,7-8,10-11,13-16,23H,5-6,9,12H2,1H3,(H,36,40)(H,37,39)	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
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403916 (CHEMBL2113740) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H24ClF6N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115957 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H25ClF6N2O2/c1-38(27(40)19-13-20(28(31,32)33)16-21(14-19)29(34,35)36)25-15-18(26(39)37-23-5-3-2-4-6-23)9-12-24(25)17-7-10-22(30)11-8-17/h7-16,23H,2-6H2,1H3,(H,37,39)	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	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115969 (CHEMBL305375 | N-[4-(N-Cyclohexyl-hydrazinocarbony...) Show SMILES CN(C(=O)c1ccccc1)c1cc(ccc1-c1ccc(F)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C27H27FN2O2/c1-30(27(32)20-8-4-2-5-9-20)25-18-21(26(31)29-23-10-6-3-7-11-23)14-17-24(25)19-12-15-22(28)16-13-19/h2,4-5,8-9,12-18,23H,3,6-7,10-11H2,1H3,(H,29,31)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403789 (CHEMBL2115343) Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+/t21-,22-/m0/s1	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranes				Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115964 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H19ClF6N2O2/c1-33(2)22(35)15-6-9-20(14-4-7-19(26)8-5-14)21(12-15)34(3)23(36)16-10-17(24(27,28)29)13-18(11-16)25(30,31)32/h4-13H,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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403919 (CHEMBL2112211) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C30H27F6N3O3/c1-17-6-8-18(9-7-17)23-11-10-19(26(40)38-24-5-3-4-12-37-27(24)41)15-25(23)39(2)28(42)20-13-21(29(31,32)33)16-22(14-20)30(34,35)36/h6-11,13-16,24H,3-5,12H2,1-2H3,(H,37,41)(H,38,40)/t24-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115970 (4'-Chloro-2-(3,4,5-trimethoxy-benzoylamino)-biphen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H31ClN2O5/c1-35-25-16-20(17-26(36-2)27(25)37-3)29(34)32-24-15-19(28(33)31-22-7-5-4-6-8-22)11-14-23(24)18-9-12-21(30)13-10-18/h9-17,22H,4-8H2,1-3H3,(H,31,33)(H,32,34)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403917 (CHEMBL2112209) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C30H32ClN3O6/c1-34(30(37)20-16-25(38-2)27(40-4)26(17-20)39-3)24-15-19(10-13-22(24)18-8-11-21(31)12-9-18)28(35)33-23-7-5-6-14-32-29(23)36/h8-13,15-17,23H,5-7,14H2,1-4H3,(H,32,36)(H,33,35)/t23-/m1/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403787 (CHEMBL2112070) Show SMILES CN([C@@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+/t21-,22-/m1/s1	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranes				Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106901 (CHEMBL104954 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((...) Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-NKA binding to transfected Chinese hamster ovary cells (CHO cells) expressing recombinant human Tachykinin receptor 2				Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403918 (CHEMBL2113739) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H24F7N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115970 (4'-Chloro-2-(3,4,5-trimethoxy-benzoylamino)-biphen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H31ClN2O5/c1-35-25-16-20(17-26(36-2)27(25)37-3)29(34)32-24-15-19(28(33)31-22-7-5-4-6-8-22)11-14-23(24)18-9-12-21(30)13-10-18/h9-17,22H,4-8H2,1-3H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115963 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(F)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H25F7N2O2/c1-38(27(40)19-13-20(28(31,32)33)16-21(14-19)29(34,35)36)25-15-18(26(39)37-23-5-3-2-4-6-23)9-12-24(25)17-7-10-22(30)11-8-17/h7-16,23H,2-6H2,1H3,(H,37,39)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403920 (CHEMBL2112212) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H23Cl2F6N3O3/c1-40(27(43)17-10-18(28(32,33)34)14-19(11-17)29(35,36)37)24-13-16(25(41)39-23-4-2-3-9-38-26(23)42)5-7-20(24)15-6-8-21(30)22(31)12-15/h5-8,10-14,23H,2-4,9H2,1H3,(H,38,42)(H,39,41)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115957 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H25ClF6N2O2/c1-38(27(40)19-13-20(28(31,32)33)16-21(14-19)29(34,35)36)25-15-18(26(39)37-23-5-3-2-4-6-23)9-12-24(25)17-7-10-22(30)11-8-17/h7-16,23H,2-6H2,1H3,(H,37,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50089567 (CHEMBL35857 | N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-...) Show SMILES CN(C(Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-NKA binding to transfected Chinese hamster ovary cells (CHO cells) expressing recombinant human Tachykinin receptor 2				Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403916 (CHEMBL2113740) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H24ClF6N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403788 (CHEMBL2114398) Show SMILES CN([C@@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+/t21-,22+/m1/s1	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	86	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranes				Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115965 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C)CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H26ClF6N3O2/c1-37(2)12-4-11-36-25(39)18-7-10-23(17-5-8-22(29)9-6-17)24(15-18)38(3)26(40)19-13-20(27(30,31)32)16-21(14-19)28(33,34)35/h5-10,13-16H,4,11-12H2,1-3H3,(H,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403789 (CHEMBL2115343) Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-NKA binding to transfected Chinese hamster ovary cells (CHO cells) expressing recombinant human Tachykinin receptor 2				Bioorg Med Chem Lett 10: 1467-70 (2000) BindingDB Entry DOI: 10.7270/Q2M907X9
					More data for this Ligand-Target Pair

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