Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'zartman' and Initial = 'a'   

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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092512 (2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092511 (3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134778 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092511 (3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134777 ((S)-3-(2,3-Dihydro-benzofuran-6-yl)-3-{2-oxo-3-[3-...) Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H30N4O4/c30-23(31)16-21(19-6-5-17-9-14-33-22(17)15-19)29-13-12-28(25(29)32)11-2-4-20-8-7-18-3-1-10-26-24(18)27-20/h5-8,15,21H,1-4,9-14,16H2,(H,26,27)(H,30,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341928 (CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50162755 ((S)-3-(6-Methoxy-pyridin-3-yl)-7-oxo-9-(5,6,7,8-te...) Show SMILES COc1ccc(cn1)[C@@H](CCCC(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C23H29N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t...				Bioorg Med Chem Lett 15: 1647-50 (2005) Article DOI: 10.1016/j.bmcl.2005.01.051 BindingDB Entry DOI: 10.7270/Q25D8RBX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50162756 ((3S,7R)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,...) Show SMILES COc1ccc(cn1)[C@@H](CCC[C@@H](O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C23H31N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17,20,27H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t...				Bioorg Med Chem Lett 15: 1647-50 (2005) Article DOI: 10.1016/j.bmcl.2005.01.051 BindingDB Entry DOI: 10.7270/Q25D8RBX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50162757 ((3S,7S)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,...) Show SMILES COc1ccc(cn1)[C@@H](CCC[C@H](O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C23H31N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17,20,27H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t...				Bioorg Med Chem Lett 15: 1647-50 (2005) Article DOI: 10.1016/j.bmcl.2005.01.051 BindingDB Entry DOI: 10.7270/Q25D8RBX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134780 ((S)-3-{2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthy...) Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C22H27N5O3/c28-20(29)14-19(17-5-1-9-23-15-17)27-13-12-26(22(27)30)11-3-6-18-8-7-16-4-2-10-24-21(16)25-18/h1,5,7-9,15,19H,2-4,6,10-14H2,(H,24,25)(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092512 (2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134776 ((S)-3-(3-Fluoro-4-methoxy-phenyl)-3-{2-oxo-3-[3-(5...) Show SMILES COc1ccc(cc1F)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C24H29FN4O4/c1-33-21-9-7-17(14-19(21)25)20(15-22(30)31)29-13-12-28(24(29)32)11-3-5-18-8-6-16-4-2-10-26-23(16)27-18/h6-9,14,20H,2-5,10-13,15H2,1H3,(H,26,27)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134779 ((S)-3-{3-[3-(7-Hydroxy-5,6,7,8-tetrahydro-[1,8]nap...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCC(O)Nc3n2)C1=O Show InChI InChI=1S/C23H29N5O5/c1-33-20-9-6-16(14-24-20)18(13-21(30)31)28-12-11-27(23(28)32)10-2-3-17-7-4-15-5-8-19(29)26-22(15)25-17/h4,6-7,9,14,18-19,29H,2-3,5,8,10-13H2,1H3,(H,25,26)(H,30,31)/t18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341934 (CHEMBL1765259 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2ncccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O2/c28-24(19-12-13-22-18(17-19)7-6-15-26-22)27-16-14-25(29,20-8-2-1-3-9-20)21-10-4-5-11-23(21)27/h1-3,6-9,12-13,15,17,21,23,29H,4-5,10-11,14,16H2/t21-,23+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341930 (CHEMBL1765246 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1cccc2[nH]ccc12)c1ccccc1 |r| Show InChI InChI=1S/C24H26N2O2/c27-23(19-9-6-11-21-18(19)13-15-25-21)26-16-14-24(28,17-7-2-1-3-8-17)20-10-4-5-12-22(20)26/h1-3,6-9,11,13,15,20,22,25,28H,4-5,10,12,14,16H2/t20-,22+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153030 ((S)-3-(6-Methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahyd...) Show SMILES COc1ccc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C23H31N3O3/c1-29-21-13-11-19(16-25-21)18(15-22(27)28)7-4-2-3-5-9-20-12-10-17-8-6-14-24-23(17)26-20/h10-13,16,18H,2-9,14-15H2,1H3,(H,24,26)(H,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t...				Bioorg Med Chem Lett 15: 1647-50 (2005) Article DOI: 10.1016/j.bmcl.2005.01.051 BindingDB Entry DOI: 10.7270/Q25D8RBX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092508 (2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341929 (CHEMBL1765161 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092508 (2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341936 (CHEMBL1765261 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C24H26N2O2/c27-23(18-10-11-21-17(16-18)12-14-25-21)26-15-13-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,10-12,14,16,20,22,25,28H,4-5,8-9,13,15H2/t20-,22+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092510 (2-Benzenesulfonylamino-3-[4-(2-guanidino-ethoxy)-b...) Show SMILES NC(=N)NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N5O6S/c20-19(21)22-10-11-30-14-8-6-13(7-9-14)17(25)23-12-16(18(26)27)24-31(28,29)15-4-2-1-3-5-15/h1-9,16,24H,10-12H2,(H,23,25)(H,26,27)(H4,20,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134775 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-oxo-3...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCC(=O)c2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H27N5O5/c1-33-20-7-5-16(14-25-20)18(13-21(30)31)28-12-11-27(23(28)32)10-8-19(29)17-6-4-15-3-2-9-24-22(15)26-17/h4-7,14,18H,2-3,8-13H2,1H3,(H,24,26)(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341933 (CHEMBL1765258 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O2/c28-24(19-16-18-8-4-6-12-22(18)26-17-19)27-15-14-25(29,20-9-2-1-3-10-20)21-11-5-7-13-23(21)27/h1-4,6,8-10,12,16-17,21,23,29H,5,7,11,13-15H2/t21-,23+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341938 (CHEMBL1765263 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341927 (CHEMBL1765159 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,19-20,25H,7-8,13-16H2/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341919 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341919 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341935 (CHEMBL1765260 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2cnccc2n1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2/c28-23(21-11-10-17-16-25-14-12-20(17)26-21)27-15-13-24(29,18-6-2-1-3-7-18)19-8-4-5-9-22(19)27/h1-3,6-7,10-12,14,16,19,22,29H,4-5,8-9,13,15H2/t19-,22+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341932 (CHEMBL1765248 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...) Show SMILES CN1CCC(C1)C(=O)N1CC[C@@](O)([C@H]2CCCC[C@@H]12)c1ccccc1 |r| Show InChI InChI=1S/C21H30N2O2/c1-22-13-11-16(15-22)20(24)23-14-12-21(25,17-7-3-2-4-8-17)18-9-5-6-10-19(18)23/h2-4,7-8,16,18-19,25H,5-6,9-15H2,1H3/t16?,18-,19+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341942 (CHEMBL1765267 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES Cc1cccc(n1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-16-8-7-12-19(23-16)21(25)24-15-14-22(26,17-9-3-2-4-10-17)18-11-5-6-13-20(18)24/h2-4,7-10,12,18,20,26H,5-6,11,13-15H2,1H3/t18-,20+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341940 (CHEMBL1765265 | cis-rac-(3-fluoropyridin-4-yl)((4S...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccncc1F)c1ccccc1 |r| Show InChI InChI=1S/C21H23FN2O2/c22-18-14-23-12-10-16(18)20(25)24-13-11-21(26,15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-3,6-7,10,12,14,17,19,26H,4-5,8-9,11,13H2/t17-,19+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50341951 (((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...) Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fors...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322836 (CHEMBL1210244 | rac-N-(3-methyl-1-(piperidin-1-yl)...) Show SMILES CCC(C)(CCN1CCCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H43N3O2/c1-4-29(2,17-20-31-18-11-6-12-19-31)32(28(34)23-13-7-5-8-14-23)22-25-21-24-15-9-10-16-26(24)30(3)27(25)33/h9-10,15-16,21,23H,4-8,11-14,17-20,22H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341951 (((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...) Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341951 (((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...) Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322839 (CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...) Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092510 (2-Benzenesulfonylamino-3-[4-(2-guanidino-ethoxy)-b...) Show SMILES NC(=N)NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N5O6S/c20-19(21)22-10-11-30-14-8-6-13(7-9-14)17(25)23-12-16(18(26)27)24-31(28,29)15-4-2-1-3-5-15/h1-9,16,24H,10-12H2,(H,23,25)(H,26,27)(H4,20,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341939 (CHEMBL1765264 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccon1)c1ccccc1 |r| Show InChI InChI=1S/C19H22N2O3/c22-18(16-10-13-24-20-16)21-12-11-19(23,14-6-2-1-3-7-14)15-8-4-5-9-17(15)21/h1-3,6-7,10,13,15,17,23H,4-5,8-9,11-12H2/t15-,17+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341945 (CHEMBL1765270 | cis-rac-(6-cyclopropylpyridin-3-yl...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(nc1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H28N2O2/c27-23(18-12-13-21(25-16-18)17-10-11-17)26-15-14-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,12-13,16-17,20,22,28H,4-5,8-11,14-15H2/t20-,22+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341955 (CHEMBL1765281 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(nc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)19-11-10-15(14-26-19)20(28)27-13-12-21(29,16-6-2-1-3-7-16)17-8-4-5-9-18(17)27/h1-3,6-7,10-11,14,17-18,29H,4-5,8-9,12-13H2/t17-,18+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50076052 ((S)-3-[4-(5-Amino-pentyloxy)-benzoylamino]-2-benze...) Show SMILES NCCCCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C21H27N3O6S/c22-13-5-2-6-14-30-17-11-9-16(10-12-17)20(25)23-15-19(21(26)27)24-31(28,29)18-7-3-1-4-8-18/h1,3-4,7-12,19,24H,2,5-6,13-15,22H2,(H,23,25)(H,26,27)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets				Bioorg Med Chem Lett 9: 863-8 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1JSK
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50322837 (CHEMBL1210311 | rac-N-(1-(4-fluoropiperidin-1-yl)-...) Show SMILES CCC(C)(CCN1CCC(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H42FN3O2/c1-4-29(2,16-19-32-17-14-25(30)15-18-32)33(28(35)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-26(23)31(3)27(24)34/h8-9,12-13,20,22,25H,4-7,10-11,14-19,21H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...				Bioorg Med Chem Lett 20: 4700-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.143 BindingDB Entry DOI: 10.7270/Q2PR7W6H
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341943 (CHEMBL1765268 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F3N2O3/c24-23(25,26)15-31-20-11-10-16(14-27-20)21(29)28-13-12-22(30,17-6-2-1-3-7-17)18-8-4-5-9-19(18)28/h1-3,6-7,10-11,14,18-19,30H,4-5,8-9,12-13,15H2/t18-,19+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341952 (((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...) Show SMILES CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50076058 ((S)-2-Benzenesulfonylamino-3-(4-piperazin-1-yl-ben...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(cc1)N1CCNCC1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H24N4O5S/c25-19(15-6-8-16(9-7-15)24-12-10-21-11-13-24)22-14-18(20(26)27)23-30(28,29)17-4-2-1-3-5-17/h1-9,18,21,23H,10-14H2,(H,22,25)(H,26,27)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets				Bioorg Med Chem Lett 9: 863-8 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1JSK
					More data for this Ligand-Target Pair

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