Compile Data Set for Download or QSAR

Found 420 hits with Last Name = 'wester' and Initial = 'hj'   

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
Mu-type opioid receptor (MOUSE)	BDBM50177898 (2-Fluoro-N-[4-methoxymethyl-1-(2-thiophen-2-yl-eth...) Show SMILES COCC1(CCN(CCc2cccs2)CC1)N(C(=O)C(C)F)c1ccccc1 Show InChI InChI=1S/C22H29FN2O2S/c1-18(23)21(26)25(19-7-4-3-5-8-19)22(17-27-2)11-14-24(15-12-22)13-10-20-9-6-16-28-20/h3-9,16,18H,10-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Binding constant for Opioid receptor mu 1 in mouse				Bioorg Med Chem Lett 15: 1773-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.049 BindingDB Entry DOI: 10.7270/Q28916M4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50300442 ((20R)-4,5-alpha-Epoxy-17-methyl-3-hydroxy-6-methox...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:19.36,8.10,wD:5.4,7.8,8.11,2.1,28.29,29.38,c:3,(.49,-5.98,;1.05,-4.54,;.09,-3.34,;-.99,-2.33,;-.42,-1.28,;-1.5,-.69,;.04,-.66,;.84,-1.99,;2.38,-1.96,;1.59,-.62,;3.17,-3.28,;3.12,-.61,;4.66,-.59,;5.41,.76,;6.94,.78,;7.69,2.12,;6.9,3.44,;5.35,3.41,;4.61,2.07,;-2.31,.63,;-3.86,.59,;-4.59,-.77,;-6.12,-.8,;-6.86,-2.16,;-6.06,-3.47,;-6.8,-4.82,;-4.52,-3.44,;-2.66,-4.42,;-1.46,-3.37,;-2.25,-2.05,;-3.44,-.93,;-3.43,1.87,;-2.03,1.87,;-.83,2.83,;-3.78,-2.08,)| Show InChI InChI=1S/C30H35NO4/c1-27(33,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,34-3)26-29(28)15-16-31(2)23(28)17-20-9-10-21(32)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biomedizinische Forschungsreagenzien GmbH Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				J Med Chem 52: 5586-9 (2009) Article DOI: 10.1021/jm900892x BindingDB Entry DOI: 10.7270/Q2SQ90F7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177895 (CHEMBL200456 | fluoromethyl 1-(2-phenylethyl)-4-(N...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OCF Show InChI InChI=1S/C24H29FN2O3/c1-2-22(28)27(21-11-7-4-8-12-21)24(23(29)30-19-25)14-17-26(18-15-24)16-13-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177898 (2-Fluoro-N-[4-methoxymethyl-1-(2-thiophen-2-yl-eth...) Show SMILES COCC1(CCN(CCc2cccs2)CC1)N(C(=O)C(C)F)c1ccccc1 Show InChI InChI=1S/C22H29FN2O2S/c1-18(23)21(26)25(19-7-4-3-5-8-19)22(17-27-2)11-14-24(15-12-22)13-10-20-9-6-16-28-20/h3-9,16,18H,10-15,17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50331552 (CHEMBL1288585 | [11C]-(+)-(4aR,10bR)-4-propyl-3,4,...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 |r| Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Binding affinity to human dopamine D3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50300442 ((20R)-4,5-alpha-Epoxy-17-methyl-3-hydroxy-6-methox...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:19.36,8.10,wD:5.4,7.8,8.11,2.1,28.29,29.38,c:3,(.49,-5.98,;1.05,-4.54,;.09,-3.34,;-.99,-2.33,;-.42,-1.28,;-1.5,-.69,;.04,-.66,;.84,-1.99,;2.38,-1.96,;1.59,-.62,;3.17,-3.28,;3.12,-.61,;4.66,-.59,;5.41,.76,;6.94,.78,;7.69,2.12,;6.9,3.44,;5.35,3.41,;4.61,2.07,;-2.31,.63,;-3.86,.59,;-4.59,-.77,;-6.12,-.8,;-6.86,-2.16,;-6.06,-3.47,;-6.8,-4.82,;-4.52,-3.44,;-2.66,-4.42,;-1.46,-3.37,;-2.25,-2.05,;-3.44,-.93,;-3.43,1.87,;-2.03,1.87,;-.83,2.83,;-3.78,-2.08,)| Show InChI InChI=1S/C30H35NO4/c1-27(33,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,34-3)26-29(28)15-16-31(2)23(28)17-20-9-10-21(32)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biomedizinische Forschungsreagenzien GmbH Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				J Med Chem 52: 5586-9 (2009) Article DOI: 10.1021/jm900892x BindingDB Entry DOI: 10.7270/Q2SQ90F7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132057 (CHEMBL1180430 | CHEMBL126128 | N-{4-[4-(2-Methoxy-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28)/b14-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132069 (3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132047 (3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50331549 (CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...) Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177899 (CHEMBL371710 | methyl 4-[(N-1-oxopropyl)-N-phenyla...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCCCCF)CC1)C(=O)OC Show InChI InChI=1S/C21H31FN2O3/c1-3-19(25)24(18-10-6-4-7-11-18)21(20(26)27-2)12-16-23(17-13-21)15-9-5-8-14-22/h4,6-7,10-11H,3,5,8-9,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177897 (2-fluoroethyl 1-(2-phenylethyl)-4-(N-phenylpropana...) Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OCCF Show InChI InChI=1S/C25H31FN2O3/c1-2-23(29)28(22-11-7-4-8-12-22)25(24(30)31-20-16-26)14-18-27(19-15-25)17-13-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50484947 (CHEMBL2017621) Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OCC[18F])ccc21 Show InChI InChI=1S/C18H16FN3OS/c1-20-13-4-2-12(3-5-13)15-11-22-16-7-6-14(23-9-8-19)10-17(16)24-18(22)21-15/h2-7,10-11,20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of [3H]Pittsburgh compound B from human Abeta1-40 after 3 hrs by liquid scintillation counting				ACS Med Chem Lett 2: 673-7 (2011) Article DOI: 10.1021/ml200123w BindingDB Entry DOI: 10.7270/Q29889V4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177894 (2-Fluoro-N-(1-phenethyl-piperidin-4-yl)-N-phenyl-p...) Show SMILES CC(F)C(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27FN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50177894 (2-Fluoro-N-(1-phenethyl-piperidin-4-yl)-N-phenyl-p...) Show SMILES CC(F)C(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H27FN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Binding constant for Opioid receptor mu 1 in mouse				Bioorg Med Chem Lett 15: 1773-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.049 BindingDB Entry DOI: 10.7270/Q28916M4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50484946 ((18F)AV-45 | 18F-AV-45 | AV-45 F-18 | Amyvid | CHE...) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])nc2)cc1 Show InChI InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Binding affinity to amyloid beta aggregates in postmortem human Alzheimer's disease brain homogenates after 2 hrs by gamma counting				ACS Med Chem Lett 2: 673-7 (2011) Article DOI: 10.1021/ml200123w BindingDB Entry DOI: 10.7270/Q29889V4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50484947 (CHEMBL2017621) Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OCC[18F])ccc21 Show InChI InChI=1S/C18H16FN3OS/c1-20-13-4-2-12(3-5-13)15-11-22-16-7-6-14(23-9-8-19)10-17(16)24-18(22)21-15/h2-7,10-11,20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of [3H]Pittsburgh compound B from human Abeta1-42 after 3 hrs by liquid scintillation counting				ACS Med Chem Lett 2: 673-7 (2011) Article DOI: 10.1021/ml200123w BindingDB Entry DOI: 10.7270/Q29889V4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483423 (CHEMBL1671878) Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OC)ccc21 Show InChI InChI=1S/C17H15N3OS/c1-18-12-5-3-11(4-6-12)14-10-20-15-8-7-13(21-2)9-16(15)22-17(20)19-14/h3-10,18H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of [3H]PiB from human amyloid beta (1-40) at 100 nM after 180 mins by liquid scintillation counter				J Med Chem 54: 949-56 (2011) Article DOI: 10.1021/jm101129a BindingDB Entry DOI: 10.7270/Q2639SJM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50300442 ((20R)-4,5-alpha-Epoxy-17-methyl-3-hydroxy-6-methox...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:19.36,8.10,wD:5.4,7.8,8.11,2.1,28.29,29.38,c:3,(.49,-5.98,;1.05,-4.54,;.09,-3.34,;-.99,-2.33,;-.42,-1.28,;-1.5,-.69,;.04,-.66,;.84,-1.99,;2.38,-1.96,;1.59,-.62,;3.17,-3.28,;3.12,-.61,;4.66,-.59,;5.41,.76,;6.94,.78,;7.69,2.12,;6.9,3.44,;5.35,3.41,;4.61,2.07,;-2.31,.63,;-3.86,.59,;-4.59,-.77,;-6.12,-.8,;-6.86,-2.16,;-6.06,-3.47,;-6.8,-4.82,;-4.52,-3.44,;-2.66,-4.42,;-1.46,-3.37,;-2.25,-2.05,;-3.44,-.93,;-3.43,1.87,;-2.03,1.87,;-.83,2.83,;-3.78,-2.08,)| Show InChI InChI=1S/C30H35NO4/c1-27(33,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,34-3)26-29(28)15-16-31(2)23(28)17-20-9-10-21(32)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biomedizinische Forschungsreagenzien GmbH Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting				J Med Chem 52: 5586-9 (2009) Article DOI: 10.1021/jm900892x BindingDB Entry DOI: 10.7270/Q2SQ90F7
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50483423 (CHEMBL1671878) Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OC)ccc21 Show InChI InChI=1S/C17H15N3OS/c1-18-12-5-3-11(4-6-12)14-10-20-15-8-7-13(21-2)9-16(15)22-17(20)19-14/h3-10,18H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of [3H]PiB from human amyloid beta (1-42) at 100 nM after 180 mins by liquid scintillation counter				J Med Chem 54: 949-56 (2011) Article DOI: 10.1021/jm101129a BindingDB Entry DOI: 10.7270/Q2639SJM
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of [3H]PiB from human amyloid beta (1-40) at 100 nM after 180 mins by liquid scintillation counter				J Med Chem 54: 949-56 (2011) Article DOI: 10.1021/jm101129a BindingDB Entry DOI: 10.7270/Q2639SJM
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of [3H]Pittsburgh compound B from human Abeta1-42 after 3 hrs by liquid scintillation counting				ACS Med Chem Lett 2: 673-7 (2011) Article DOI: 10.1021/ml200123w BindingDB Entry DOI: 10.7270/Q29889V4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50331552 (CHEMBL1288585 | [11C]-(+)-(4aR,10bR)-4-propyl-3,4,...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 |r| Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Binding affinity to human dopamine D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of [3H]Pittsburgh compound B from human Abeta1-40 after 3 hrs by liquid scintillation counting				ACS Med Chem Lett 2: 673-7 (2011) Article DOI: 10.1021/ml200123w BindingDB Entry DOI: 10.7270/Q29889V4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of [3H]PiB from human amyloid beta (1-42) at 100 nM after 180 mins by liquid scintillation counter				J Med Chem 54: 949-56 (2011) Article DOI: 10.1021/jm101129a BindingDB Entry DOI: 10.7270/Q2639SJM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177896 (CHEMBL371268 | N[1-(5-[18F]fluoropentyl)-4-piperid...) Show SMILES CCC(=O)N(C1CCN(CCCCCF)CC1)c1ccccc1 Show InChI InChI=1S/C19H29FN2O/c1-2-19(23)22(17-9-5-3-6-10-17)18-11-15-21(16-12-18)14-8-4-7-13-20/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu opioid receptor				J Med Chem 48: 7720-32 (2005) Article DOI: 10.1021/jm0507274 BindingDB Entry DOI: 10.7270/Q2G44PVB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132057 (CHEMBL1180430 | CHEMBL126128 | N-{4-[4-(2-Methoxy-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28)/b14-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132069 (3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132047 (3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132069 (3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50331549 (CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...) Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50331549 (CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...) Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (PIG)	BDBM50331549 (CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...) Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex membranes				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Sus scrofa)	BDBM50331549 (CHEMBL567286 | [11C]-3-(2-oxo-3-(2-(4-(trifluorome...) Show SMILES FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH 23990 from dopamine D1 receptor in porcine cerebral cortex membranes				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (PIG)	BDBM50132069 (3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex membranes				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Sus scrofa)	BDBM50132069 (3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universität Erlangen-Nürnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH 23990 from dopamine D1 receptor in porcine cerebral cortex membranes				Bioorg Med Chem Lett 20: 6933-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.142 BindingDB Entry DOI: 10.7270/Q2474B38
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50530090 (CHEMBL4443665) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCc2ccc3C=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,c:37,40,t:34| Show InChI InChI=1S/C58H90BF2N15O12/c1-34(2)27-41-53(84)71-40(15-13-25-66-58(62)63)52(83)67-32-49(79)70-42(31-51(81)82)54(85)72-43(28-35(3)4)56(87)74-26-14-17-45(74)57(88)73(7)44(55(86)68-33-50(80)69-41)16-10-12-24-64-47(77)18-9-8-11-23-65-48(78)22-21-38-19-20-39-30-46-36(5)29-37(6)75(46)59(60,61)76(38)39/h19-20,29-30,34-35,40-45H,8-18,21-28,31-33H2,1-7H3,(H,64,77)(H,65,78)(H,67,83)(H,68,86)(H,69,80)(H,70,79)(H,71,84)(H,72,85)(H,81,82)(H4,62,63,66)/t40-,41-,42-,43-,44-,45+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50530090 (CHEMBL4443665) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCc2ccc3C=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,c:37,40,t:34| Show InChI InChI=1S/C58H90BF2N15O12/c1-34(2)27-41-53(84)71-40(15-13-25-66-58(62)63)52(83)67-32-49(79)70-42(31-51(81)82)54(85)72-43(28-35(3)4)56(87)74-26-14-17-45(74)57(88)73(7)44(55(86)68-33-50(80)69-41)16-10-12-24-64-47(77)18-9-8-11-23-65-48(78)22-21-38-19-20-39-30-46-36(5)29-37(6)75(46)59(60,61)76(38)39/h19-20,29-30,34-35,40-45H,8-18,21-28,31-33H2,1-7H3,(H,64,77)(H,65,78)(H,67,83)(H,68,86)(H,69,80)(H,70,79)(H,71,84)(H,72,85)(H,81,82)(H4,62,63,66)/t40-,41-,42-,43-,44-,45+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50165164 (CHEMBL262135 | CHEMBL430066 | Radiolabeled octreot...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50530099 (CHEMBL4441624) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r| Show InChI InChI=1S/C51H75N13O11/c1-30(2)25-35-45(70)57-31(3)43(68)62-38(27-33-17-9-6-10-18-33)49(74)64-24-14-21-40(64)50(75)63(4)39(20-11-12-22-52)48(73)61-36(26-32-15-7-5-8-16-32)46(71)59-34(19-13-23-55-51(53)54)44(69)56-29-41(65)58-37(28-42(66)67)47(72)60-35/h5-10,15-18,30-31,34-40H,11-14,19-29,52H2,1-4H3,(H,56,69)(H,57,70)(H,58,65)(H,59,71)(H,60,72)(H,61,73)(H,62,68)(H,66,67)(H4,53,54,55)/t31-,34-,35-,36-,37-,38-,39-,40+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta6 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50530099 (CHEMBL4441624) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r| Show InChI InChI=1S/C51H75N13O11/c1-30(2)25-35-45(70)57-31(3)43(68)62-38(27-33-17-9-6-10-18-33)49(74)64-24-14-21-40(64)50(75)63(4)39(20-11-12-22-52)48(73)61-36(26-32-15-7-5-8-16-32)46(71)59-34(19-13-23-55-51(53)54)44(69)56-29-41(65)58-37(28-42(66)67)47(72)60-35/h5-10,15-18,30-31,34-40H,11-14,19-29,52H2,1-4H3,(H,56,69)(H,57,70)(H,58,65)(H,59,71)(H,60,72)(H,61,73)(H,62,68)(H,66,67)(H4,53,54,55)/t31-,34-,35-,36-,37-,38-,39-,40+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta6 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50165167 (4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...) Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C49H63IN10O12S2/c1-25(61)40-48(70)58-38(47(69)60-41(26(2)62)49(71)72)24-74-73-23-37(57-42(64)32(52)19-27-10-4-3-5-11-27)46(68)55-35(20-28-15-16-39(63)31(50)18-28)44(66)56-36(21-29-22-53-33-13-7-6-12-30(29)33)45(67)54-34(43(65)59-40)14-8-9-17-51/h3-7,10-13,15-16,18,22,25-26,32,34-38,40-41,53,61-63H,8-9,14,17,19-21,23-24,51-52H2,1-2H3,(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,65)(H,60,69)(H,71,72)/p+2/t25?,26?,32?,34-,35-,36+,37?,38-,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50530110 (CHEMBL4575627) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r| Show InChI InChI=1S/C43H64N12O11/c1-23(2)19-28-38(62)48-24(3)36(60)53-30(20-26-11-6-5-7-12-26)41(65)55-18-10-15-32(55)42(66)54-17-9-14-31(54)40(64)49-25(4)35(59)51-27(13-8-16-46-43(44)45)37(61)47-22-33(56)50-29(21-34(57)58)39(63)52-28/h5-7,11-12,23-25,27-32H,8-10,13-22H2,1-4H3,(H,47,61)(H,48,62)(H,49,64)(H,50,56)(H,51,59)(H,52,63)(H,53,60)(H,57,58)(H4,44,45,46)/t24-,25-,27-,28-,29-,30-,31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta6 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50530110 (CHEMBL4575627) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r| Show InChI InChI=1S/C43H64N12O11/c1-23(2)19-28-38(62)48-24(3)36(60)53-30(20-26-11-6-5-7-12-26)41(65)55-18-10-15-32(55)42(66)54-17-9-14-31(54)40(64)49-25(4)35(59)51-27(13-8-16-46-43(44)45)37(61)47-22-33(56)50-29(21-34(57)58)39(63)52-28/h5-7,11-12,23-25,27-32H,8-10,13-22H2,1-4H3,(H,47,61)(H,48,62)(H,49,64)(H,50,56)(H,51,59)(H,52,63)(H,53,60)(H,57,58)(H4,44,45,46)/t24-,25-,27-,28-,29-,30-,31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta6 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50165159 (4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...) Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C61H83IN10O22S2/c1-28(74)45-58(88)70-41(57(87)72-46(29(2)75)59(89)90)26-96-95-25-40(69-53(83)37(19-30-10-4-3-5-11-30)65-27-61(91)51(81)50(43(77)24-92-61)94-60-49(80)48(79)47(78)44(23-73)93-60)56(86)67-38(20-31-15-16-42(76)34(62)18-31)54(84)68-39(21-32-22-64-35-13-7-6-12-33(32)35)55(85)66-36(52(82)71-45)14-8-9-17-63/h3-7,10-13,15-16,18,22,28-29,36-41,43-51,60,64-65,73-81,91H,8-9,14,17,19-21,23-27,63H2,1-2H3,(H,66,85)(H,67,86)(H,68,84)(H,69,83)(H,70,88)(H,71,82)(H,72,87)(H,89,90)/p+2/t28?,29?,36-,37?,38-,39+,40?,41-,43?,44?,45-,46-,47+,48-,49?,50+,51?,60-,61?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50165180 (4-[(4R,7S,10S,13R,16S)-4-{[(1S)-1-carboxy-2-hydrox...) Show SMILES CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(O)=O Show InChI InChI=1S/C67H93IN10O27S2/c1-29(81)47-63(97)76-42(62(96)78-48(30(2)82)64(98)99)27-107-106-26-41(61(95)73-39(20-32-15-16-43(83)35(68)18-32)59(93)74-40(21-33-22-70-36-13-7-6-12-34(33)36)60(94)72-37(57(91)77-47)14-8-9-17-69)75-58(92)38(19-31-10-4-3-5-11-31)71-28-67(100)56(90)54(44(84)25-101-67)104-66-53(89)51(87)55(46(24-80)103-66)105-65-52(88)50(86)49(85)45(23-79)102-65/h3-7,10-13,15-16,18,22,29-30,37-42,44-56,65-66,70-71,79-90,100H,8-9,14,17,19-21,23-28,69H2,1-2H3,(H,72,94)(H,73,95)(H,74,93)(H,75,92)(H,76,97)(H,77,91)(H,78,96)(H,98,99)/p+2/t29?,30?,37-,38?,39-,40+,41?,42-,44?,45?,46?,47-,48-,49+,50-,51+,52?,53?,54+,55+,56?,65-,66-,67?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50165174 (4-[(4R,7S,10S,13R,16S)-19-[2-({[(4R)-4-{[(2S,4R,5S...) Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C67H95IN10O26S2/c1-30(82)42(23-79)75-63(97)44-28-106-105-27-43(76-59(93)39(19-32-10-4-3-5-11-32)71-29-67(99)57(91)55(46(85)26-100-67)103-66-54(90)52(88)56(48(25-81)102-66)104-65-53(89)51(87)50(86)47(24-80)101-65)62(96)73-40(20-33-15-16-45(84)36(68)18-33)60(94)74-41(21-34-22-70-37-13-7-6-12-35(34)37)61(95)72-38(14-8-9-17-69)58(92)78-49(31(2)83)64(98)77-44/h3-7,10-13,15-16,18,22,30-31,38-44,46-57,65-66,70-71,79-91,99H,8-9,14,17,19-21,23-29,69H2,1-2H3,(H,72,95)(H,73,96)(H,74,94)(H,75,97)(H,76,93)(H,77,98)(H,78,92)/p+2/t30?,31?,38-,39?,40-,41+,42+,43?,44-,46?,47?,48?,49-,50+,51-,52+,53?,54?,55+,56+,57?,65-,66-,67?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50165160 (4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan...) Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C61H85IN10O21S2/c1-29(75)41(23-73)69-58(88)43-27-95-94-26-42(70-54(84)38(19-31-10-4-3-5-11-31)65-28-61(90)52(82)51(45(78)25-91-61)93-60-50(81)49(80)48(79)46(24-74)92-60)57(87)67-39(20-32-15-16-44(77)35(62)18-32)55(85)68-40(21-33-22-64-36-13-7-6-12-34(33)36)56(86)66-37(14-8-9-17-63)53(83)72-47(30(2)76)59(89)71-43/h3-7,10-13,15-16,18,22,29-30,37-43,45-52,60,64-65,73-82,90H,8-9,14,17,19-21,23-28,63H2,1-2H3,(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)/p+2/t29?,30?,37-,38?,39-,40+,41+,42?,43-,45?,46?,47-,48+,49-,50?,51+,52?,60-,61?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50530119 (CHEMBL4449438) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C37H61N11O10/c1-19(2)15-23-32(54)44-22(9-6-12-40-37(38)39)31(53)41-18-28(49)43-24(17-29(50)51)33(55)46-25(16-20(3)4)35(57)48-14-8-11-27(48)36(58)47-13-7-10-26(47)34(56)42-21(5)30(52)45-23/h19-27H,6-18H2,1-5H3,(H,41,53)(H,42,56)(H,43,49)(H,44,54)(H,45,52)(H,46,55)(H,50,51)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50530119 (CHEMBL4449438) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C37H61N11O10/c1-19(2)15-23-32(54)44-22(9-6-12-40-37(38)39)31(53)41-18-28(49)43-24(17-29(50)51)33(55)46-25(16-20(3)4)35(57)48-14-8-11-27(48)36(58)47-13-7-10-26(47)34(56)42-21(5)30(52)45-23/h19-27H,6-18H2,1-5H3,(H,41,53)(H,42,56)(H,43,49)(H,44,54)(H,45,52)(H,46,55)(H,50,51)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair

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