Compile Data Set for Download or QSAR

Found 1931 hits with Last Name = 'ding' and Initial = 'l'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein kinase C delta type (Homo sapiens (Human))	BDBM50612016 (CHEMBL5172923) Show SMILES CC(C)[C@@H]1N(C)c2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)[C@](C)(CCC=C(C)C)C=C |r,wU:3.2,wD:15.15,22.25,(-1.31,3.86,;.18,4.26,;.57,5.74,;1.26,3.17,;.49,1.84,;-.99,2.24,;.75,.32,;-.7,-.21,;-.95,-1.73,;.22,-2.71,;1.67,-2.18,;3.03,-2.9,;4.13,-1.84,;3.49,-.67,;4.67,.31,;4.93,1.83,;6.42,2.23,;6.82,3.71,;4.17,3.15,;2.72,3.69,;2.72,5.23,;1.94,-.67,;-.17,-4.2,;-.17,-5.74,;-1.66,-4.6,;-2.75,-3.51,;-4.24,-3.91,;-5.33,-2.82,;-6.82,-3.22,;-4.93,-1.33,;1.16,-4.97,;2.49,-4.2,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem		0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418366 (CHEMBL1774023) Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C24H27Cl2N3O2/c25-17-5-1-15(2-6-17)11-22(29-23(30)12-16-3-7-18(26)8-4-16)24(31)28-21-13-19-9-10-20(14-21)27-19/h1-8,19-22,27H,9-14H2,(H,28,31)(H,29,30)/t19-,20+,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383117 (CHEMBL2031737) Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C22H22N2O4/c1-15-3-2-11-23(15)12-10-20-14-18-13-17(6-9-21(18)28-20)22(25)16-4-7-19(8-5-16)24(26)27/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to human H3 receptor				J Med Chem 55: 2406-15 (2012) Article DOI: 10.1021/jm201690h BindingDB Entry DOI: 10.7270/Q2BR8T6Z
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418365 (CHEMBL1774024) Show SMILES Clc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O2/c27-18-5-1-16(2-6-18)13-23(24(32)30-22-14-20-9-10-21(15-22)29-20)31-25(33)26(11-12-26)17-3-7-19(28)8-4-17/h1-8,20-23,29H,9-15H2,(H,30,32)(H,31,33)/t20-,21+,22+,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50017309 (7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...) Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50001765 (8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...) Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM26267 (RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]Pentazocine from rat sigma 1 receptor in rat PC12 cells				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [125I]HEAT from adrenergic alpha2A receptor				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50243981 (Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...) Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50383118 (CHEMBL2031738) Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H22FNO2/c1-15-3-2-11-24(15)12-10-20-14-18-13-17(6-9-21(18)26-20)22(25)16-4-7-19(23)8-5-16/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to rat H3 receptor				J Med Chem 55: 2406-15 (2012) Article DOI: 10.1021/jm201690h BindingDB Entry DOI: 10.7270/Q2BR8T6Z
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from dopamine D4 receptor				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50001765 (8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...) Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50001765 (8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...) Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418372 (CHEMBL1774022) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C27H31Cl2N3O2/c1-32-22-10-11-23(32)16-21(15-22)30-25(33)24(14-17-2-6-19(28)7-3-17)31-26(34)27(12-13-27)18-4-8-20(29)9-5-18/h2-9,21-24H,10-16H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]tiotidine from human histamine H2 receptor				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50001765 (8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...) Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50158610 ((4-Fluoro-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1...) Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO2/c1-15-3-2-11-24(15)12-10-20-14-18-13-17(6-9-21(18)26-20)22(25)16-4-7-19(23)8-5-16/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to human H3 receptor				J Med Chem 55: 2406-15 (2012) Article DOI: 10.1021/jm201690h BindingDB Entry DOI: 10.7270/Q2BR8T6Z
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418373 (CHEMBL1774017) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H29Cl2N3O2/c1-30-21-10-11-22(30)15-20(14-21)28-25(32)23(12-16-2-6-18(26)7-3-16)29-24(31)13-17-4-8-19(27)9-5-17/h2-9,20-23H,10-15H2,1H3,(H,28,32)(H,29,31)/t20-,21+,22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
DCN1-like protein 5 (Homo sapiens)	BDBM50525313 (CHEMBL4592844) Show SMILES Cc1ccc(cc1)-c1nc(SCC#C)nc(Sc2nccs2)c1C#N Show InChI InChI=1S/C18H12N4S3/c1-3-9-23-17-21-15(13-6-4-12(2)5-7-13)14(11-19)16(22-17)25-18-20-8-10-24-18/h1,4-8,10H,9H2,2H3	UniProtKB/SwissProt 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
Zhengzhou University Curated by ChEMBL					Assay Description Binding affinity to N-terminal GST tagged recombinant DCN5 (unknown origin) (47 to 237 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 62: 5382-5403 (2019) Article DOI: 10.1021/acs.jmedchem.9b00003 BindingDB Entry DOI: 10.7270/Q2GT5RM9
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50243981 (Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...) Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50017309 (7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...) Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [125I]HEAT from adrenergic Alpha-2C receptor				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM26267 (RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418397 (CHEMBL1773857) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C34H45ClN4O4S/c1-25-22-32(43-5)26(2)27(3)33(25)44(41,42)36-31(23-28-12-14-30(35)15-13-28)34(40)39(24-29-10-7-6-8-11-29)17-9-16-38-20-18-37(4)19-21-38/h6-8,10-15,22,31,36H,9,16-21,23-24H2,1-5H3/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50001765 (8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...) Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418367 (CHEMBL1774021) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C27H33Cl2N3O2/c1-27(2,18-6-10-20(29)11-7-18)26(34)31-24(14-17-4-8-19(28)9-5-17)25(33)30-21-15-22-12-13-23(16-21)32(22)3/h4-11,21-24H,12-16H2,1-3H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50017309 (7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...) Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50418365 (CHEMBL1774024) Show SMILES Clc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O2/c27-18-5-1-16(2-6-18)13-23(24(32)30-22-14-20-9-10-21(15-22)29-20)31-25(33)26(11-12-26)17-3-7-19(28)8-4-17/h1-8,20-23,29H,9-15H2,(H,30,32)(H,31,33)/t20-,21+,22+,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50244033 (Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...) Show SMILES COCc1c(ncc2[nH]c3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418377 (CHEMBL1774012) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H28Cl3N3O2/c1-31-19-7-8-20(31)14-18(13-19)29-25(33)23(11-15-2-5-17(26)6-3-15)30-24(32)12-16-4-9-21(27)22(28)10-16/h2-6,9-10,18-20,23H,7-8,11-14H2,1H3,(H,29,33)(H,30,32)/t18-,19+,20-,23?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM25878 (5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM25878 (5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM25878 (5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418384 (CHEMBL1774000) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C26H29ClN2O4S/c1-17-14-24(33-4)18(2)19(3)25(17)34(31,32)29-23(15-20-10-12-22(27)13-11-20)26(30)28-16-21-8-6-5-7-9-21/h5-14,23,29H,15-16H2,1-4H3,(H,28,30)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50017309 (7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...) Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50017309 (7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...) Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50243981 (Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...) Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [125I]HEAT from adrenergic alpha2B receptor				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50418369 (CHEMBL1774019) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(C)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C26H32ClN3O2/c1-17-3-5-19(6-4-17)14-25(31)29-24(13-18-7-9-20(27)10-8-18)26(32)28-21-15-22-11-12-23(16-21)30(22)2/h3-10,21-24H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22+,23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50244033 (Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...) Show SMILES COCc1c(ncc2[nH]c3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM26267 (RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50244033 (Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...) Show SMILES COCc1c(ncc2[nH]c3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair

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