Compile Data Set for Download or QSAR

Found 4873 hits with Last Name = 'smith' 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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223987 (A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	7.5	25
AbbVie Inc.					Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...				Nat Chem Biol 13: 389-395 (2017) Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223987 (A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.5	25
AbbVie Inc.					Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...				Nat Chem Biol 13: 389-395 (2017) Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50028600 (1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50028600 (1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50028602 (1-(2-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-13-14-12-15(20)6-7-18(14)23-19-5-3-2-4-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223986 ((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.5	25
AbbVie Inc.					Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...				Nat Chem Biol 13: 389-395 (2017) Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50028601 (1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50028601 (1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-2(long) receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.30	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50028598 (1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028601 (1-(8-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Cc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2A receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50028598 (1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50028600 (1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50028600 (1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-2(long) receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50028976 (4-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-1-me...) Show SMILES CN1CCC(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C21H22ClN/c1-23-10-8-15(9-11-23)21-14-18-13-19(22)7-6-16(18)12-17-4-2-3-5-20(17)21/h2-7,13-15H,8-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 2C receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028602 (1-(2-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-13-14-12-15(20)6-7-18(14)23-19-5-3-2-4-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2A receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50028600 (1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity of the compound was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2C recept...				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028600 (1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2A receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028976 (4-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-1-me...) Show SMILES CN1CCC(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C21H22ClN/c1-23-10-8-15(9-11-23)21-14-18-13-19(22)7-6-16(18)12-17-4-2-3-5-20(17)21/h2-7,13-15H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 2A receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50028600 (1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50036437 (4-Dibenzo[b,f]oxepin-10-yl-1-methyl-piperidine; hy...) Show SMILES CN1CCC(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C20H21NO/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-9,14-15H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028600 (1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028599 (1-(2-Chloro-5H-dibenzo[a,d]cyclohepten-10-yl)-4-me...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-14-17-13-18(21)7-6-15(17)12-16-4-2-3-5-19(16)20/h2-7,13-14H,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2A receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50442103 (CHEMBL2441082) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Non-competitive inhibition of lysine methyltransferase G9a (unknown origin) using SAM as substrate by Michaelis-Menten kinetic assay				J Med Chem 56: 8931-42 (2013) Article DOI: 10.1021/jm401480r BindingDB Entry DOI: 10.7270/Q2NZ892T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028598 (1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50028598 (1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2A receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	7.5	25
AbbVie Inc.					Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...				Nat Chem Biol 13: 389-395 (2017) Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50036439 (4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-ethyl-1,2,3...) Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:5,t:9| Show InChI InChI=1S/C22H23N/c1-2-23-13-11-17(12-14-23)22-16-19-8-4-3-7-18(19)15-20-9-5-6-10-21(20)22/h3-11,16H,2,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50010598 (1-Methyl-4-(5-methylene-5H-dibenzo[a,d]cyclohepten...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2C(=C)c2ccccc12 |t:8| Show InChI InChI=1S/C21H22N2/c1-16-18-8-4-3-7-17(18)15-21(20-10-6-5-9-19(16)20)23-13-11-22(2)12-14-23/h3-10,15H,1,11-14H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity of the compound was evaluated as inhibition constant for dopamine receptor D1 using [3H]-SCH- 23390 as radioligand				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM22871 (13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM22871 (13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50028598 (1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...) Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity of the compound was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2C recept...				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50028602 (1-(2-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Oc2ccccc12 |t:8| Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-13-14-12-15(20)6-7-18(14)23-19-5-3-2-4-16(17)19/h2-7,12-13H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Affinity of the compound was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2C recept...				J Med Chem 37: 2686-96 (1994) BindingDB Entry DOI: 10.7270/Q28051NX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50036442 (4-Dibenzo[b,f]oxepin-10-yl-1-ethyl-1,2,3,6-tetrahy...) Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:5,t:9| Show InChI InChI=1S/C21H21NO/c1-2-22-13-11-16(12-14-22)19-15-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21/h3-11,15H,2,12-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair

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