Compile Data Set for Download or QSAR

Found 396 hits with Last Name = 'clark' and Initial = 'h'   

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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH-23390 from human dopamine D1 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50394089 (CHEMBL2158640) Show SMILES CCCN1C[C@@H](C[C@H]2[C@H]1CCc1cc(O)c(O)cc21)c1ccc(O)cc1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-9-23-13-16(14-3-6-17(24)7-4-14)10-19-18-12-22(26)21(25)11-15(18)5-8-20(19)23/h3-4,6-7,11-12,16,19-20,24-26H,2,5,8-10,13H2,1H3/t16-,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D2long receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50020222 ((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...) Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50325822 (CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...) Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH-23390 from human dopamine D1 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50394091 (CHEMBL2158636) Show SMILES Oc1ccc(cc1)[C@H]1CN[C@@H]2CCc3cc(O)c(O)cc3[C@H]2C1 |r| Show InChI InChI=1S/C19H21NO3/c21-14-4-1-11(2-5-14)13-7-16-15-9-19(23)18(22)8-12(15)3-6-17(16)20-10-13/h1-2,4-5,8-9,13,16-17,20-23H,3,6-7,10H2/t13-,16-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50394089 (CHEMBL2158640) Show SMILES CCCN1C[C@@H](C[C@H]2[C@H]1CCc1cc(O)c(O)cc21)c1ccc(O)cc1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-9-23-13-16(14-3-6-17(24)7-4-14)10-19-18-12-22(26)21(25)11-15(18)5-8-20(19)23/h3-4,6-7,11-12,16,19-20,24-26H,2,5,8-10,13H2,1H3/t16-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D2long receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50325822 (CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...) Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50325822 (CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...) Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D2long receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50394091 (CHEMBL2158636) Show SMILES Oc1ccc(cc1)[C@H]1CN[C@@H]2CCc3cc(O)c(O)cc3[C@H]2C1 |r| Show InChI InChI=1S/C19H21NO3/c21-14-4-1-11(2-5-14)13-7-16-15-9-19(23)18(22)8-12(15)3-6-17(16)20-10-13/h1-2,4-5,8-9,13,16-17,20-23H,3,6-7,10H2/t13-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D2long receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50394091 (CHEMBL2158636) Show SMILES Oc1ccc(cc1)[C@H]1CN[C@@H]2CCc3cc(O)c(O)cc3[C@H]2C1 |r| Show InChI InChI=1S/C19H21NO3/c21-14-4-1-11(2-5-14)13-7-16-15-9-19(23)18(22)8-12(15)3-6-17(16)20-10-13/h1-2,4-5,8-9,13,16-17,20-23H,3,6-7,10H2/t13-,16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH-23390 from human dopamine D1 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50394089 (CHEMBL2158640) Show SMILES CCCN1C[C@@H](C[C@H]2[C@H]1CCc1cc(O)c(O)cc21)c1ccc(O)cc1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-9-23-13-16(14-3-6-17(24)7-4-14)10-19-18-12-22(26)21(25)11-15(18)5-8-20(19)23/h3-4,6-7,11-12,16,19-20,24-26H,2,5,8-10,13H2,1H3/t16-,19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	921	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH-23390 from human dopamine D1 receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020222 ((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...) Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D2long receptor expressed in HEK293 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 6366-74 (2012) Article DOI: 10.1016/j.bmc.2012.08.058 BindingDB Entry DOI: 10.7270/Q2G161X3
					More data for this Ligand-Target Pair
Cytidine deaminase (Homo sapiens (Human))	BDBM50087289 (1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...) Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibitory constant was measured on cytidine/deoxycytidine deaminase				J Med Chem 34: 2607-15 (1991) BindingDB Entry DOI: 10.7270/Q23F4Q8T
					More data for this Ligand-Target Pair
Cytidine deaminase (Homo sapiens (Human))	BDBM50007155 (4-Amino-1-(3-hydroxy-5-hydroxymethyl-4-methylene-t...) Show SMILES Nc1ccn(C2OC(CO)C(=C)C2O)c(=O)n1 Show InChI InChI=1S/C10H13N3O4/c1-5-6(4-14)17-9(8(5)15)13-3-2-7(11)12-10(13)16/h2-3,6,8-9,14-15H,1,4H2,(H2,11,12,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibitory constant was measured on cytidine/deoxycytidine deaminase				J Med Chem 34: 2607-15 (1991) BindingDB Entry DOI: 10.7270/Q23F4Q8T
					More data for this Ligand-Target Pair
Cytidine deaminase (Homo sapiens (Human))	BDBM50421893 (CHEMBL10128) Show SMILES Nc1ccn(C2O[C@H](CO)[C@H](O)C2=C)c(=O)n1 Show InChI InChI=1S/C10H13N3O4/c1-5-8(15)6(4-14)17-9(5)13-3-2-7(11)12-10(13)16/h2-3,6,8-9,14-15H,1,4H2,(H2,11,12,16)/t6-,8-,9?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.69E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibitory constant was measured on cytidine/deoxycytidine deaminase				J Med Chem 34: 2607-15 (1991) BindingDB Entry DOI: 10.7270/Q23F4Q8T
					More data for this Ligand-Target Pair
Cytidine deaminase (Homo sapiens (Human))	BDBM50007156 (4-Amino-5-fluoro-1-(4-hydroxy-5-hydroxymethyl-3-me...) Show SMILES Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)C1=C |r| Show InChI InChI=1S/C10H12FN3O4/c1-4-7(16)6(3-15)18-9(4)14-2-5(11)8(12)13-10(14)17/h2,6-7,9,15-16H,1,3H2,(H2,12,13,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.51E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibitory constant was measured on cytidine/deoxycytidine deaminase				J Med Chem 34: 2607-15 (1991) BindingDB Entry DOI: 10.7270/Q23F4Q8T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to full-length BRD4 short isoform (unknown origin) by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRD4 bromodomain 1 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRD4 bromodomain 1/2 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRD3 bromodomain 1 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042828 (4-Hydroxy-1-(9-mercaptomethyl-10-oxo-azecane-2-car...) Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C16H26N2O5S/c19-11-7-13(16(22)23)18(8-11)15(21)12-6-4-2-1-3-5-10(9-24)14(20)17-12/h10-13,19,24H,1-9H2,(H,17,20)(H,22,23)/t10?,11-,12?,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRPF3 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRD7 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016895 (5-Methoxy-1-propyl-2,3,10,10a-tetrahydro-1H-9-oxa-...) Show SMILES CCCN1CCC=C2C1COc1cccc(OC)c21 |c:6| Show InChI InChI=1S/C16H21NO2/c1-3-9-17-10-5-6-12-13(17)11-19-15-8-4-7-14(18-2)16(12)15/h4,6-8,13H,3,5,9-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H]-8-Hydroxy-2-(di-n-propylamino)tetralin binding to 5-hydroxytryptamine 1A receptor ...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRD3 bromodomain 2 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor at 1 uM				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042835 (1-(9-Mercaptomethyl-10-oxo-azecane-2-carbonyl)-pyr...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C16H26N2O4S/c19-14-11(10-23)6-3-1-2-4-7-12(17-14)15(20)18-9-5-8-13(18)16(21)22/h11-13,23H,1-10H2,(H,17,19)(H,21,22)/t11?,12?,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (BOVINE)	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration of the compound necessary to achieve half maximal inhibition of [3H]-clonidine binding to Alpha-2 adrenergic receptor at 1 uM				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50008790 (5-[Pyridin-4-yl-(3-trifluoromethyl-phenyl)-methyle...) Show SMILES OC(=O)CCCCO\N=C(/c1ccncc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-5-3-4-14(12-15)17(13-7-9-22-10-8-13)23-26-11-2-1-6-16(24)25/h3-5,7-10,12H,1-2,6,11H2,(H,24,25)/b23-17+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of Thromboxane synthase using [14C]-arachidonic acid as radioligand				J Med Chem 34: 1790-7 (1991) BindingDB Entry DOI: 10.7270/Q2BR8R47
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042827 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C11H19NO3S/c13-10-8(7-16)5-3-1-2-4-6-9(12-10)11(14)15/h8-9,16H,1-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042827 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C11H19NO3S/c13-10-8(7-16)5-3-1-2-4-6-9(12-10)11(14)15/h8-9,16H,1-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration of the compound necessary to achieve half maximal inhibition of [3H]-8-Hydroxy-2-(di-n-propylamino)tetralin binding to 5-hydroxytryptam...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRD4 bromodomain 2 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRD2 bromodomain 2 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H](+)-23amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene binding to dopamine recepto...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human BRPF1 by BROMOscan assay				J Med Chem 57: 8111-31 (2014) Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016883 (1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...) Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cccc(O)c21 Show InChI InChI=1S/C15H21NO2/c1-2-8-16-9-4-5-11-12(16)10-18-14-7-3-6-13(17)15(11)14/h3,6-7,11-12,17H,2,4-5,8-10H2,1H3/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H]-8-Hydroxy-2-(di-n-propylamino)tetralin binding to 5-hydroxytryptamine 1A receptor ...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM82427 (CAS_5985-38-6 | LEVORPHANOL-tartarate) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM82427 (CAS_5985-38-6 | LEVORPHANOL-tartarate) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50008798 (7-(3-Pyridin-3-yl-bicyclo[2.2.1]hept-2-yl)-heptano...) Show SMILES OC(=O)CCCCCC[C@H]1C2CCC(C2)[C@H]1c1cccnc1 |THB:8:9:14:12.11| Show InChI InChI=1S/C19H27NO2/c21-18(22)8-4-2-1-3-7-17-14-9-10-15(12-14)19(17)16-6-5-11-20-13-16/h5-6,11,13-15,17,19H,1-4,7-10,12H2,(H,21,22)/t14?,15?,17-,19-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase using [14C]-arachidonic acid				J Med Chem 34: 1790-7 (1991) BindingDB Entry DOI: 10.7270/Q2BR8R47
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50016882 (1-Butyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-p...) Show SMILES CCCCN1CCC[C@H]2[C@H]1COc1c(O)cccc21 Show InChI InChI=1S/C16H23NO2/c1-2-3-9-17-10-5-7-12-13-6-4-8-15(18)16(13)19-11-14(12)17/h4,6,8,12,14,18H,2-3,5,7,9-11H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H](+)-23amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene binding to dopamine recepto...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50016888 (1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...) Show SMILES CCCN1CCC[C@H]2[C@H]1COc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H](+)-23amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene binding to dopamine recepto...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016890 (5-Methoxy-1-propyl-2,3,4,4a,10,10a-hexahydro-1H-9-...) Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cccc(OC)c21 Show InChI InChI=1S/C16H23NO2/c1-3-9-17-10-5-6-12-13(17)11-19-15-8-4-7-14(18-2)16(12)15/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3/t12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H]-8-Hydroxy-2-(di-n-propylamino)tetralin binding to 5-hydroxytryptamine 1A receptor ...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042832 (3-Hydroxy-2-[(9-mercaptomethyl-10-oxo-azecane-2-ca...) Show SMILES OC[C@@H](NC(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C14H24N2O5S/c17-7-11(14(20)21)16-13(19)10-6-4-2-1-3-5-9(8-22)12(18)15-10/h9-11,17,22H,1-8H2,(H,15,18)(H,16,19)(H,20,21)/t9?,10?,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50228062 (CHEMBL165290) Show SMILES [H][C@@]12COc3c(O)cccc3[C@@]1([H])CCCN2C Show InChI InChI=1S/C13H17NO2/c1-14-7-3-5-9-10-4-2-6-12(15)13(10)16-8-11(9)14/h2,4,6,9,11,15H,3,5,7-8H2,1H3/t9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H](+)-23amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene binding to dopamine recepto...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042831 (6-Amino-2-[(9-mercaptomethyl-10-oxo-azecane-2-carb...) Show SMILES NCCCC[C@@H](NC(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C17H31N3O4S/c18-10-6-5-9-14(17(23)24)20-16(22)13-8-4-2-1-3-7-12(11-25)15(21)19-13/h12-14,25H,1-11,18H2,(H,19,21)(H,20,22)(H,23,24)/t12?,13?,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50016885 (1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...) Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cc(O)ccc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-6-5-11(17)9-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3/t12-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Concentration necessary to achieve half maximal inhibition of [3H](+)-23amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene binding to dopamine recepto...				J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6
					More data for this Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50497043 (CHEMBL3249802) Show SMILES Cl.[H][C@]12Cc3ccc(O)cc3[C@](CCN1C)([C@H]2C)c1ccccc1 |r,THB:9:10:16:14.12.13,15:14:16:10.4.3| Show InChI InChI=1S/C20H23NO.ClH/c1-14-19-12-15-8-9-17(22)13-18(15)20(14,10-11-21(19)2)16-6-4-3-5-7-16;/h3-9,13-14,19,22H,10-12H2,1-2H3;1H/t14-,19+,20+;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting				J Med Chem 21: 600-6 (1978) Article DOI: 10.1021/jm00205a003 BindingDB Entry DOI: 10.7270/Q2WM1HDV
					More data for this Ligand-Target Pair

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