Compile Data Set for Download or QSAR

Found 26683 hits with Last Name = 'kumar' and Initial = 'r'   

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
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50246967 (CHEMBL4080228 | US10570121, Example 81) Show SMILES CO[C@H](C1COC1)c1cc(Cl)c2CCN(Cc3c(OC)cc(C)[nH]c3=O)C(=O)c2c1Cl |r| Show InChI InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proprotein convertase subtilisin/kexin type 7 (Homo sapiens (Human))	BDBM50533413 (CHEMBL3126388) Show SMILES CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl |r| Show InChI InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal truncated human SPC7 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516 BindingDB Entry DOI: 10.7270/Q2M048X4
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 5 (Homo sapiens (Human))	BDBM50533413 (CHEMBL3126388) Show SMILES CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl |r| Show InChI InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal truncated human SPC6 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516 BindingDB Entry DOI: 10.7270/Q2M048X4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50378001 (CHEMBL1627321 | US8748608, 36) Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)9-8-17(30)15-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50598056 (CHEMBL403671) Show SMILES CNS(=O)(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00164 BindingDB Entry DOI: 10.7270/Q24X5CTC
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50598057 (CHEMBL254337) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00164 BindingDB Entry DOI: 10.7270/Q24X5CTC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50131922 (1H-Indole-2-carboxylic acid {4-[4-(2-methoxy-pheny...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C24H30N4O2/c1-30-23-11-5-4-10-22(23)28-16-14-27(15-17-28)13-7-6-12-25-24(29)21-18-19-8-2-3-9-20(19)26-21/h2-5,8-11,18,26H,6-7,12-17H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50253620 (CHEMBL523328 | endo-8-(Benzofur-3-ylmethyl)-3-(3,4...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8| Show InChI InChI=1S/C22H21Cl2NO2/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
Neuroendocrine convertase 2 (Homo sapiens (Human))	BDBM50533413 (CHEMBL3126388) Show SMILES CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl |r| Show InChI InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal truncated human SPC2 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516 BindingDB Entry DOI: 10.7270/Q2M048X4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50253638 (CHEMBL518816 | endo-8-(5-Fluorobenzofur-3-ylmethyl...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8| Show InChI InChI=1S/C22H21ClFNO2/c23-16-3-1-15(2-4-16)22(26)10-18-6-7-19(11-22)25(18)12-14-13-27-21-8-5-17(24)9-20(14)21/h1-5,8-9,13,18-19,26H,6-7,10-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50228954 ((E)-2-(6-(3-(2-(5-chlorothiophen-2-yl)vinylsulfona...) Show SMILES CN(C)S(=O)(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |w:21.23| Show InChI InChI=1S/C23H23ClN4O5S3/c1-27(2)36(32,33)20-6-4-3-5-18(20)16-7-10-22(25-15-16)28-13-11-19(23(28)29)26-35(30,31)14-12-17-8-9-21(24)34-17/h3-10,12,14-15,19,26H,11,13H2,1-2H3/b14-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00164 BindingDB Entry DOI: 10.7270/Q24X5CTC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50378019 (CHEMBL1627323) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl Show InChI InChI=1S/C23H24Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-9,16,27H,10-15H2,(H,26,30)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50378018 (CHEMBL1627322 | US8748608, 37) Show SMILES COc1ccccc1N1CCN(CCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C24H30N4O3/c1-31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)11-10-19(29)17-25-24(30)21-16-18-6-2-3-7-20(18)26-21/h2-9,16,19,26,29H,10-15,17H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129425 (5-Fluoro-1H-indole-2-carboxylic acid {4-[4-(2,3-di...) Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C23H25Cl2FN4O/c24-18-4-3-5-21(22(18)25)30-12-10-29(11-13-30)9-2-1-8-27-23(31)20-15-16-14-17(26)6-7-19(16)28-20/h3-7,14-15,28H,1-2,8-13H2,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50253664 (CHEMBL518037 | endo-8-(5-Fluorobenzofur-3-ylmethyl...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8| Show InChI InChI=1S/C22H20Cl2FNO2/c23-19-5-1-14(7-20(19)24)22(27)9-16-3-4-17(10-22)26(16)11-13-12-28-21-6-2-15(25)8-18(13)21/h1-2,5-8,12,16-17,27H,3-4,9-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50446130 (AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...) Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H2A and H2B) a...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115819 BindingDB Entry DOI: 10.7270/Q21N84R1
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50446130 (AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...) Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H2A and H2B) a...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115819 BindingDB Entry DOI: 10.7270/Q21N84R1
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50253619 (CHEMBL493278 | endo-8-(Benzofur-3-ylmethyl)-3-(4-c...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8| Show InChI InChI=1S/C22H22ClNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50149708 (5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2-metho...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1 Show InChI InChI=1S/C24H28IN3O3/c1-30-22-7-3-2-6-20(22)28-14-12-27(13-15-28)11-5-4-10-26-24(29)23-17-18-16-19(25)8-9-21(18)31-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272462 (CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50156024 (CHEMBL3780852) Show SMILES CCCCCn1c2cc(F)ccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26| Show InChI InChI=1S/C31H37NO11S/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(43-26(24)29(36)38-6)44-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)42-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21?,24?,25?,26?,27?,28-,30?,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119390 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119384 (Benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-p...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl Show InChI InChI=1S/C23H25Cl2N3O2/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119377 (Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50253636 (CHEMBL461835 | endo-8-(Benzofur-3-ylmethyl)-3-(4-b...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Br)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8| Show InChI InChI=1S/C22H22BrNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
Furin (Homo sapiens (Human))	BDBM50533413 (CHEMBL3126388) Show SMILES CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl |r| Show InChI InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal truncated human SPC1 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516 BindingDB Entry DOI: 10.7270/Q2M048X4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50253619 (CHEMBL493278 | endo-8-(Benzofur-3-ylmethyl)-3-(4-c...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8| Show InChI InChI=1S/C22H22ClNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl Show InChI InChI=1S/C23H23Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-9,16H,10-15H2,(H,26,29)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50342720 ((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...) Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50193709 (CHEMBL3911017) Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)| Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50253638 (CHEMBL518816 | endo-8-(5-Fluorobenzofur-3-ylmethyl...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8| Show InChI InChI=1S/C22H21ClFNO2/c23-16-3-1-15(2-4-16)22(26)10-18-6-7-19(11-22)25(18)12-14-13-27-21-8-5-17(24)9-20(14)21/h1-5,8-9,13,18-19,26H,6-7,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50253635 (CHEMBL517588 | endo-8-(Benzofur-3-ylmethyl)-3-(4-f...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(F)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8| Show InChI InChI=1S/C22H22FNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50378008 (CHEMBL1627314) Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H28Cl2N4O3/c1-33-18-5-6-20-16(13-18)14-21(28-20)24(32)27-8-7-17(31)15-29-9-11-30(12-10-29)22-4-2-3-19(25)23(22)26/h2-6,13-14,17,28,31H,7-12,15H2,1H3,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50256480 (CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...) Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to insulin receptor by liquid scintillation counting				Bioorg Med Chem Lett 19: 1004-8 (2009) Article DOI: 10.1016/j.bmcl.2008.11.058 BindingDB Entry DOI: 10.7270/Q24T6J8M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50342720 ((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...) Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50378014 (CHEMBL1627308 | US8748608, 35) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C24H30N4O3/c1-31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)17-19(29)10-11-25-24(30)21-16-18-6-2-3-7-20(18)26-21/h2-9,16,19,26,29H,10-15,17H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50446130 (AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...) Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human full length PARP1 (2 to 1041 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115819 BindingDB Entry DOI: 10.7270/Q21N84R1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50446130 (AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...) Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal GST-tagged human full length PARP1 (2 to 1041 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115819 BindingDB Entry DOI: 10.7270/Q21N84R1
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50253664 (CHEMBL518037 | endo-8-(5-Fluorobenzofur-3-ylmethyl...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccc(F)cc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:20:1:4.5:8| Show InChI InChI=1S/C22H20Cl2FNO2/c23-19-5-1-14(7-20(19)24)22(27)9-16-3-4-17(10-22)26(16)11-13-12-28-21-6-2-15(25)8-18(13)21/h1-2,5-8,12,16-17,27H,3-4,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50253637 (CHEMBL462043 | endo-8-(5-Methoxybenzofur-3-ylmethy...) Show SMILES COc1ccc2occ(CN3C4CCC3CC(O)(C4)c3ccc(Cl)cc3)c2c1 |TLB:9:10:12.13:18.16.15,19:16:12.13:10,THB:17:16:12.13:10| Show InChI InChI=1S/C23H24ClNO3/c1-27-20-8-9-22-21(10-20)15(14-28-22)13-25-18-6-7-19(25)12-23(26,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,14,18-19,26H,6-7,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50253636 (CHEMBL461835 | endo-8-(Benzofur-3-ylmethyl)-3-(4-b...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Br)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8| Show InChI InChI=1S/C22H22BrNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50149707 (5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2,3-dic...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl Show InChI InChI=1S/C23H24Cl2IN3O2/c24-18-4-3-5-19(22(18)25)29-12-10-28(11-13-29)9-2-1-8-27-23(30)21-15-16-14-17(26)6-7-20(16)31-21/h3-7,14-15H,1-2,8-13H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50256480 (CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...) Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to IGF1R by liquid scintillation counting				Bioorg Med Chem Lett 19: 1004-8 (2009) Article DOI: 10.1016/j.bmcl.2008.11.058 BindingDB Entry DOI: 10.7270/Q24T6J8M
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50378012 (CHEMBL1627310) Show SMILES OC(CCNC(=O)c1cc2cc(F)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C23H25Cl2FN4O2/c24-18-2-1-3-21(22(18)25)30-10-8-29(9-11-30)14-17(31)6-7-27-23(32)20-13-15-12-16(26)4-5-19(15)28-20/h1-5,12-13,17,28,31H,6-11,14H2,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50253620 (CHEMBL523328 | endo-8-(Benzofur-3-ylmethyl)-3-(3,4...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8| Show InChI InChI=1S/C22H21Cl2NO2/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50228935 ((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...) Show SMILES Clc1ccc(\C=C\S(=O)(=O)NC2CCN(C2=O)c2ccc(cn2)-c2ccccc2C#N)s1 |w:11.10| Show InChI InChI=1S/C22H17ClN4O3S2/c23-20-7-6-17(31-20)10-12-32(29,30)26-19-9-11-27(22(19)28)21-8-5-16(14-25-21)18-4-2-1-3-15(18)13-24/h1-8,10,12,14,19,26H,9,11H2/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00164 BindingDB Entry DOI: 10.7270/Q24X5CTC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50253663 (CHEMBL461197 | endo-8-(Naphtho[1,2-b]fur-3-ylmethy...) Show SMILES OC1(CC2CCC(C1)N2Cc1coc2c1ccc1ccccc21)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:23:1:4.5:8| Show InChI InChI=1S/C26H24ClNO2/c27-20-8-6-19(7-9-20)26(29)13-21-10-11-22(14-26)28(21)15-18-16-30-25-23-4-2-1-3-17(23)5-12-24(18)25/h1-9,12,16,21-22,29H,10-11,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair
Neuroendocrine convertase 1 (Homo sapiens (Human))	BDBM50533413 (CHEMBL3126388) Show SMILES CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl |r| Show InChI InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal truncated human SPC3 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516 BindingDB Entry DOI: 10.7270/Q2M048X4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50253637 (CHEMBL462043 | endo-8-(5-Methoxybenzofur-3-ylmethy...) Show SMILES COc1ccc2occ(CN3C4CCC3CC(O)(C4)c3ccc(Cl)cc3)c2c1 |TLB:9:10:12.13:18.16.15,19:16:12.13:10,THB:17:16:12.13:10| Show InChI InChI=1S/C23H24ClNO3/c1-27-20-8-9-22-21(10-20)15(14-28-22)13-25-18-6-7-19(25)12-23(26,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,14,18-19,26H,6-7,11-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuses Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 6095-109 (2008) Article DOI: 10.1021/jm800532x BindingDB Entry DOI: 10.7270/Q2HM589Q
					More data for this Ligand-Target Pair

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