Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'la vecchia' and Initial = 'l'   

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))	BDBM50106898 (CHEMBL317632 | N-Methyl-N-[(E)-(R)-1-(1-methyl-1H-...) Show SMILES CN([C@H](Cc1cn(C)c2ccccc12)\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/C30H30F6N4O3/c1-39-17-19(23-7-3-4-9-25(23)39)15-22(10-11-26(41)38-24-8-5-6-12-37-27(24)42)40(2)28(43)18-13-20(29(31,32)33)16-21(14-18)30(34,35)36/h3-4,7,9-11,13-14,16-17,22,24H,5-6,8,12,15H2,1-2H3,(H,37,42)(H,38,41)/b11-10+/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					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 binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50106899 (CHEMBL105600 | N-[(E)-(R)-3-(1-Carbamoyl-cyclohexy...) Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1(CCCCC1)C(N)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H28ClF6N3O3/c1-38(24(40)18-14-19(27(30,31)32)16-20(15-18)28(33,34)35)22(13-17-5-7-21(29)8-6-17)9-10-23(39)37-26(25(36)41)11-3-2-4-12-26/h5-10,14-16,22H,2-4,11-13H2,1H3,(H2,36,41)(H,37,39)/b10-9+/t22-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106900 (CHEMBL103979 | N-Methyl-N-[(E)-(R)-1-naphthalen-2-...) Show SMILES CN([C@H](Cc1ccc2ccccc2c1)\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/C31H29F6N3O3/c1-40(29(43)22-16-23(30(32,33)34)18-24(17-22)31(35,36)37)25(15-19-9-10-20-6-2-3-7-21(20)14-19)11-12-27(41)39-26-8-4-5-13-38-28(26)42/h2-3,6-7,9-12,14,16-18,25-26H,4-5,8,13,15H2,1H3,(H,38,42)(H,39,41)/b12-11+/t25-,26+/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50106891 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dic...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H26Cl2F6N4O3/c1-37(24(41)16-11-17(25(29,30)31)13-18(12-16)26(32,33)34)38(14-15-5-6-19(27)20(28)10-15)9-7-22(39)36-21-4-2-3-8-35-23(21)40/h5-6,10-13,21H,2-4,7-9,14H2,1H3,(H,35,40)(H,36,39)/t21-/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106896 (CHEMBL104708 | N-[(E)-(R)-1-(4,5-Dichloro-thiophen...) Show SMILES CN([C@H](Cc1cc(Cl)c(Cl)s1)\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/C25H23Cl2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106892 (3-[4-(3,4-dichlorophenyl)-3-[3,5-di(trifluoromethy...) Show SMILES CN([C@H](Cc1ccc(Cl)c(Cl)c1)\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/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1	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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106892 (3-[4-(3,4-dichlorophenyl)-3-[3,5-di(trifluoromethy...) Show SMILES CN([C@H](Cc1ccc(Cl)c(Cl)c1)\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/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106891 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dic...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H26Cl2F6N4O3/c1-37(24(41)16-11-17(25(29,30)31)13-18(12-16)26(32,33)34)38(14-15-5-6-19(27)20(28)10-15)9-7-22(39)36-21-4-2-3-8-35-23(21)40/h5-6,10-13,21H,2-4,7-9,14H2,1H3,(H,35,40)(H,36,39)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106895 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N'-methyl-...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C30H30F6N4O3/c1-39(28(43)22-15-23(29(31,32)33)17-24(16-22)30(34,35)36)40(18-19-9-10-20-6-2-3-7-21(20)14-19)13-11-26(41)38-25-8-4-5-12-37-27(25)42/h2-3,6-7,9-10,14-17,25H,4-5,8,11-13,18H2,1H3,(H,37,42)(H,38,41)/t25-/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	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50106897 (CHEMBL105009 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-cy...) Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCCC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H29ClF6N2O2/c1-37(26(39)19-15-20(27(30,31)32)17-21(16-19)28(33,34)35)24(14-18-8-10-22(29)11-9-18)12-13-25(38)36-23-6-4-2-3-5-7-23/h8-13,15-17,23-24H,2-7,14H2,1H3,(H,36,38)/b13-12+/t24-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106896 (CHEMBL104708 | N-[(E)-(R)-1-(4,5-Dichloro-thiophen...) Show SMILES CN([C@H](Cc1cc(Cl)c(Cl)s1)\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/C25H23Cl2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106893 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(4,5-dib...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24Br2F6N4O3S/c1-35(22(39)13-8-14(23(27,28)29)10-15(9-13)24(30,31)32)36(12-16-11-17(25)20(26)40-16)7-5-19(37)34-18-4-2-3-6-33-21(18)38/h8-11,18H,2-7,12H2,1H3,(H,33,38)(H,34,37)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106894 (CHEMBL102376 | N-[(E)-(R)-1-(4,5-Dibromo-thiophen-...) Show SMILES CN([C@H](Cc1cc(Br)c(Br)s1)\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/C25H23Br2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106893 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(4,5-dib...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24Br2F6N4O3S/c1-35(22(39)13-8-14(23(27,28)29)10-15(9-13)24(30,31)32)36(12-16-11-17(25)20(26)40-16)7-5-19(37)34-18-4-2-3-6-33-21(18)38/h8-11,18H,2-7,12H2,1H3,(H,33,38)(H,34,37)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of rat CB1 receptor				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106898 (CHEMBL317632 | N-Methyl-N-[(E)-(R)-1-(1-methyl-1H-...) Show SMILES CN([C@H](Cc1cn(C)c2ccccc12)\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/C30H30F6N4O3/c1-39-17-19(23-7-3-4-9-25(23)39)15-22(10-11-26(41)38-24-8-5-6-12-37-27(24)42)40(2)28(43)18-13-20(29(31,32)33)16-21(14-18)30(34,35)36/h3-4,7,9-11,13-14,16-17,22,24H,5-6,8,12,15H2,1-2H3,(H,37,42)(H,38,41)/b11-10+/t22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					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 binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218121 (CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...) Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106894 (CHEMBL102376 | N-[(E)-(R)-1-(4,5-Dibromo-thiophen-...) Show SMILES CN([C@H](Cc1cc(Br)c(Br)s1)\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/C25H23Br2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218123 (CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...) Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106895 (3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N'-methyl-...) Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C30H30F6N4O3/c1-39(28(43)22-15-23(29(31,32)33)17-24(16-22)30(34,35)36)40(18-19-9-10-20-6-2-3-7-21(20)14-19)13-11-26(41)38-25-8-4-5-12-37-27(25)42/h2-3,6-7,9-10,14-17,25H,4-5,8,11-13,18H2,1H3,(H,37,42)(H,38,41)/t25-/m1/s1	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 binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106900 (CHEMBL103979 | N-Methyl-N-[(E)-(R)-1-naphthalen-2-...) Show SMILES CN([C@H](Cc1ccc2ccccc2c1)\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/C31H29F6N3O3/c1-40(29(43)22-16-23(30(32,33)34)18-24(17-22)31(35,36)37)25(15-19-9-10-20-6-2-3-7-21(20)14-19)11-12-27(41)39-26-8-4-5-13-38-28(26)42/h2-3,6-7,9-12,14,16-18,25-26H,4-5,8,13,15H2,1H3,(H,38,42)(H,39,41)/b12-11+/t25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106899 (CHEMBL105600 | N-[(E)-(R)-3-(1-Carbamoyl-cyclohexy...) Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1(CCCCC1)C(N)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H28ClF6N3O3/c1-38(24(40)18-14-19(27(30,31)32)16-20(15-18)28(33,34)35)22(13-17-5-7-21(29)8-6-17)9-10-23(39)37-26(25(36)41)11-3-2-4-12-26/h5-10,14-16,22H,2-4,11-13H2,1H3,(H2,36,41)(H,37,39)/b10-9+/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218123 (CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...) Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218120 (CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...) Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218121 (CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...) Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218119 ((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...) Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50106897 (CHEMBL105009 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-cy...) Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCCC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H29ClF6N2O2/c1-37(26(39)19-15-20(27(30,31)32)17-21(16-19)28(33,34)35)24(14-18-8-10-22(29)11-9-18)12-13-25(38)36-23-6-4-2-3-5-7-23/h8-13,15-17,23-24H,2-7,14H2,1H3,(H,36,38)/b13-12+/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand				Bioorg Med Chem Lett 11: 3081-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40THD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218120 (CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...) Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218119 ((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...) Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218122 (CHEMBL244607 | naphthalen-1-yl-(4-phenethyloxynaph...) Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C29H22O2/c30-29(26-16-8-12-22-11-4-5-13-23(22)26)27-17-18-28(25-15-7-6-14-24(25)27)31-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218118 (CHEMBL244189 | [4-(2-morpholin-4-ylethoxy)naphthal...) Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C27H25NO3/c29-27(24-11-5-7-20-6-1-2-8-21(20)24)25-12-13-26(23-10-4-3-9-22(23)25)31-19-16-28-14-17-30-18-15-28/h1-13H,14-19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218122 (CHEMBL244607 | naphthalen-1-yl-(4-phenethyloxynaph...) Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C29H22O2/c30-29(26-16-8-12-22-11-4-5-13-23(22)26)27-17-18-28(25-15-7-6-14-24(25)27)31-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218118 (CHEMBL244189 | [4-(2-morpholin-4-ylethoxy)naphthal...) Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C27H25NO3/c29-27(24-11-5-7-20-6-1-2-8-21(20)24)25-12-13-26(23-10-4-3-9-22(23)25)31-19-16-28-14-17-30-18-15-28/h1-13H,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2E1 in human liver microsomes				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as reversal of forskolin-evoked cAMP accumulation				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as reversal of forskolin-evoked cAMP accumulation				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 54 total )  |  Next  |  Last  >>

Jump to: