Compile Data Set for Download or QSAR

Found 924 hits with Last Name = 'russell' and Initial = 'k'   

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))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50105595 ((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 298: 307-15 (2001) BindingDB Entry DOI: 10.7270/Q2H130JX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50118100 (3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...) Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50175494 (1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50105595 ((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 298: 307-15 (2001) BindingDB Entry DOI: 10.7270/Q2H130JX
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50409575 (CHEMBL339767 | ZD-7944) Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50175494 (1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50118100 (3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...) Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]-MePhe-NKB as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50175494 (1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50118100 (3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...) Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50409575 (CHEMBL339767 | ZD-7944) Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to human Tachykinin receptor 1 expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50409575 (CHEMBL339767 | ZD-7944) Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248583 (US9434711, 496) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO5S2/c1-15-20-4-2-3-5-21(20)34-22(15)28(14-16-6-10-18(11-7-16)33-24(25,26)27)35(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.183	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica, N.V. US Patent					Assay Description For patch clamp experiments, HEK293 cells are stably transfected with canine TRPM8 and cultured in DMEM supplemented with 10% fetal bovine serum, 100...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50036555 (CHEMBL3353610 | US9434711, 497) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(c(F)c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H17F4NO4S2/c1-14-18-4-2-3-5-21(18)34-22(14)29(13-15-6-11-19(20(25)12-15)24(26,27)28)35(32,33)17-9-7-16(8-10-17)23(30)31/h2-12H,13H2,1H3,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248583 (US9434711, 496) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO5S2/c1-15-20-4-2-3-5-21(20)34-22(15)28(14-16-6-10-18(11-7-16)33-24(25,26)27)35(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.554	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica, N.V. US Patent					Assay Description For patch clamp experiments, HEK293 cells are stably transfected with canine TRPM8 and cultured in DMEM supplemented with 10% fetal bovine serum, 100...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248370 (US9434711, 227) Show SMILES CCS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C(C)(C)O Show InChI InChI=1S/C21H21F4NO3S2/c1-4-31(28,29)26(12-13-9-10-16(22)15(11-13)21(23,24)25)19-18(20(2,3)27)14-7-5-6-8-17(14)30-19/h5-11,27H,4,12H2,1-3H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248576 (US9434711, 489) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H17ClFNO4S2/c1-14-18-4-2-3-5-21(18)31-22(14)26(13-15-6-11-20(25)19(24)12-15)32(29,30)17-9-7-16(8-10-17)23(27)28/h2-12H,13H2,1H3,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248838 (US9434711, 808) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(nc1)-c1noc(=O)[nH]1 Show InChI InChI=1S/C24H17F3N4O5S2/c1-14-18-4-2-3-5-20(18)37-22(14)31(13-15-6-8-16(9-7-15)35-24(25,26)27)38(33,34)17-10-11-19(28-12-17)21-29-23(32)36-30-21/h2-12H,13H2,1H3,(H,29,30,32)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248599 (US9434711, 518) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO4S2/c1-15-20-4-2-3-5-21(20)33-22(15)28(14-16-6-10-18(11-7-16)24(25,26)27)34(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248580 (US9434711, 493) Show SMILES Cc1c(sc2ccccc12)N(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H14F5NO4S2/c1-11-14-4-2-3-5-16(14)34-22(11)29(10-15-17(24)19(26)21(28)20(27)18(15)25)35(32,33)13-8-6-12(7-9-13)23(30)31/h2-9H,10H2,1H3,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248480 (US9434711, 361) Show SMILES CC(C)(O)c1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H21F4NO5S2/c1-25(2,34)22-18-5-3-4-6-21(18)37-23(22)31(14-15-7-12-20(27)19(13-15)26(28,29)30)38(35,36)17-10-8-16(9-11-17)24(32)33/h3-13,34H,14H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248583 (US9434711, 496) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO5S2/c1-15-20-4-2-3-5-21(20)34-22(15)28(14-16-6-10-18(11-7-16)33-24(25,26)27)35(31,32)19-12-8-17(9-13-19)23(29)30/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248426 (US9434711, 292) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br Show InChI InChI=1S/C23H14BrF4NO4S2/c24-20-16-3-1-2-4-19(16)34-21(20)29(12-13-5-10-18(25)17(11-13)23(26,27)28)35(32,33)15-8-6-14(7-9-15)22(30)31/h1-11H,12H2,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50426573 (CHEMBL2324349 | US9434711, 306) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H17F4NO4S2/c1-14-18-4-2-3-5-21(18)34-22(14)29(13-15-6-11-20(25)19(12-15)24(26,27)28)35(32,33)17-9-7-16(8-10-17)23(30)31/h2-12H,13H2,1H3,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50000806 (13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...) Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand)				J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248389 (US9434711, 249) Show SMILES Brc1c(sc2ccccc12)N(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccccc1 |TLB:15:16:20:14.19.13,19:14:21:18.20.17,19:18:21:15.14.13,THB:15:14:20:21.16.17| Show InChI InChI=1S/C25H26BrNO2S2/c26-23-21-8-4-5-9-22(21)30-24(23)27(31(28,29)20-6-2-1-3-7-20)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-9,17-19H,10-16H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM248581 (US9434711, 494) Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(cc1)S(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H18F3NO6S3/c1-15-20-4-2-3-5-21(20)35-22(15)28(37(33,34)19-12-8-17(9-13-19)23(29)30)14-16-6-10-18(11-7-16)36(31,32)24(25,26)27/h2-13H,14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica, N.V. US Patent					Assay Description The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...				US Patent US9434711 (2016) BindingDB Entry DOI: 10.7270/Q2H41QB6
					More data for this Ligand-Target Pair

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