Compile Data Set for Download or QSAR

Found 13656 hits with Last Name = 'cao' and Initial = 'j'   

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
Transporter (Rattus norvegicus (rat))	BDBM364425 (US10913711, Compound 10d | US11555013, Compound 10...) Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H28F2N2O2S/c1-17(27)16-26-12-10-25(11-13-26)14-15-29(28)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, fron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM364427 (US10913711, Compound 10a | US11555013, Compound 10...) Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM364427 (US10913711, Compound 10a | US11555013, Compound 10...) Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, fron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2ST7TRG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221547 (4-chloro-3-(5-methyl-3-(4-(3-(pyrrolidin-1-yl)prop...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(CCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C27H28ClN5O/c1-18-15-20(23-17-22(34)10-11-24(23)28)16-25-26(18)30-27(32-31-25)29-21-8-6-19(7-9-21)5-4-14-33-12-2-3-13-33/h6-11,15-17,34H,2-5,12-14H2,1H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TargeGen, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 17: 5812-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.043 BindingDB Entry DOI: 10.7270/Q2M32VGM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01353 BindingDB Entry DOI: 10.7270/Q2BV7MF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation co...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01353 BindingDB Entry DOI: 10.7270/Q2BV7MF8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50139771 (CHEMBL3765580 | US10138212, Example 12) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 Show InChI InChI=1S/C20H17N5O2/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303248 (2-amino-N-[(1-ethyl-2- oxo-3-pyridyl)methyl]-8- me...) Show SMILES CCn1cccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)c1=O |$;;;;;;;;HN;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C18H19N5O3/c1-3-23-9-5-6-11(17(23)25)10-20-16(24)15-12-7-4-8-13(26-2)14(12)21-18(19)22-15/h4-9H,3,10H2,1-2H3,(H,20,24)(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50201006 (CHEMBL3923709 | US10138212, Example 5) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(C)C Show InChI InChI=1S/C19H21N5O2/c1-11(2)14-8-4-6-12(22-14)10-21-18(25)17-13-7-5-9-15(26-3)16(13)23-19(20)24-17/h4-9,11H,10H2,1-3H3,(H,21,25)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50200981 (CHEMBL3960148 | US10138212, Example 6) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C1CCC1 Show InChI InChI=1S/C20H21N5O2/c1-27-16-10-4-8-14-17(16)24-20(21)25-18(14)19(26)22-11-13-7-3-9-15(23-13)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,22,26)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50201019 (CHEMBL3973920 | US10138212, Example 44) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COc2ccccc2F)n1 Show InChI InChI=1S/C23H20FN5O3/c1-31-19-11-5-8-16-20(19)28-23(25)29-21(16)22(30)26-12-14-6-4-7-15(27-14)13-32-18-10-3-2-9-17(18)24/h2-11H,12-13H2,1H3,(H,26,30)(H2,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303246 (2-amino-N-[(3,6- dimethyl-2- pyridyl)methyl]-8- me...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1nc(C)ccc1C |$;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C18H19N5O2/c1-10-7-8-11(2)21-13(10)9-20-17(24)16-12-5-4-6-14(25-3)15(12)22-18(19)23-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50139773 (CHEMBL3765379 | US10138212, Example 101) Show SMILES Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1 Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)30-14-8-2-7-13-16(14)27-19(24)28-17(13)18(29)26-10-12-5-1-4-11-6-3-9-25-15(11)12/h1-9H,10H2,(H,26,29)(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007518 ((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents 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 Abuse Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
					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	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America as Represented by the Secretary of the Department of Health and Human Services; The University of North Texas Health Science Center at Fort Worth US Patent					Assay Description Methods for performing in vitro dopamine receptor binding studies are described in Huang et al. J. Med. Chem. 44:1815-1826 (2001) and Luedtke et al. ...				US Patent US8748608 (2014) BindingDB Entry DOI: 10.7270/Q2GT5KVC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50017698 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...) Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00611 BindingDB Entry DOI: 10.7270/Q2N301V5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50573367 (CHEMBL4865434) Show SMILES CCCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01353 BindingDB Entry DOI: 10.7270/Q2BV7MF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50178623 (CHEMBL110365 | N-(4-(4-(2-methoxyphenyl)piperazin-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1 Show InChI InChI=1S/C29H33N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-5,8-13,21H,6-7,14-20H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303251 (2-amino-N-(8- isoquinolylmethyl)-8- methoxy-quinaz...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2ccncc12 |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C20H17N5O2/c1-27-16-7-3-6-14-17(16)24-20(21)25-18(14)19(26)23-10-13-5-2-4-12-8-9-22-11-15(12)13/h2-9,11H,10H2,1H3,(H,23,26)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303181 (2-amino-N-[(6- cyclopropyl-2- pyridyl)methyl]-8- m...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C1CC1 |$;;;;;;;;;;;;;;;HN;;;;;;;;;;$| Show InChI InChI=1S/C19H19N5O2/c1-26-15-7-3-5-13-16(15)23-19(20)24-17(13)18(25)21-10-12-4-2-6-14(22-12)11-8-9-11/h2-7,11H,8-10H2,1H3,(H,21,25)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303280 (2-amino-N-[[6-[(4- fluorophenoxy)methyl]- 2-pyridy...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COc2ccc(F)cc2)n1 |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C23H20FN5O3/c1-31-19-7-3-6-18-20(19)28-23(25)29-21(18)22(30)26-12-15-4-2-5-16(27-15)13-32-17-10-8-14(24)9-11-17/h2-11H,12-13H2,1H3,(H,26,30)(H2,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161235 (CHEMBL179351 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ncc[nH]3)CC2)c1Cl Show InChI InChI=1S/C24H25Cl2N5O/c25-20-4-3-5-21(22(20)26)31-16-14-30(15-17-31)13-2-1-10-29-24(32)19-8-6-18(7-9-19)23-27-11-12-28-23/h1-9,11-12H,10,13-17H2,(H,27,28)(H,29,32)/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity for human dopamine D3 receptor				J Med Chem 48: 839-48 (2005) Article DOI: 10.1021/jm049465g BindingDB Entry DOI: 10.7270/Q27H1J4R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221559 (4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...) Show SMILES CN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C27H29ClN6O3S/c1-18-15-19(23-17-21(35)7-10-24(23)28)16-25-26(18)30-27(32-31-25)29-20-5-8-22(9-6-20)38(36,37)33(2)13-14-34-11-3-4-12-34/h5-10,15-17,35H,3-4,11-14H2,1-2H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TargeGen, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 17: 5812-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.043 BindingDB Entry DOI: 10.7270/Q2M32VGM
					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 Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis				J Med Chem 55: 6689-99 (2012) Article DOI: 10.1021/jm300482h BindingDB Entry DOI: 10.7270/Q2Q81F6B
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50585129 (CHEMBL5077645) Show SMILES [H][C@@]12CCC[C@@](CCN1C\C=C\c1ccccc1)([C@@H]2O)c1cccc(O)c1 |r,THB:9:8:4.3.2:18| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.377	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00611 BindingDB Entry DOI: 10.7270/Q2N301V5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50200989 (CHEMBL3906827 | US10138212, Example 18) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H14F3N5O2/c1-27-11-6-3-5-10-13(11)24-16(21)25-14(10)15(26)22-8-9-4-2-7-12(23-9)17(18,19)20/h2-7H,8H2,1H3,(H,22,26)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303252 (2-amino-8-methoxy-N- (m- tolylmethyl)quinazoline- ...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(C)c1 |$;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C18H18N4O2/c1-11-5-3-6-12(9-11)10-20-17(23)16-13-7-4-8-14(24-2)15(13)21-18(19)22-16/h3-9H,10H2,1-2H3,(H,20,23)(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50200984 (CHEMBL3932655 | US10138212, Example 9) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(C)(C)O Show InChI InChI=1S/C19H21N5O3/c1-19(2,26)14-9-4-6-11(22-14)10-21-17(25)16-12-7-5-8-13(27-3)15(12)23-18(20)24-16/h4-9,26H,10H2,1-3H3,(H,21,25)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219103 (CHEMBL241973 | N-(4-(4-(2-methoxyphenyl)piperazin-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 Show InChI InChI=1S/C27H32N4O2/c1-33-26-10-3-2-9-25(26)31-20-18-30(19-21-31)17-7-6-16-29-27(32)23-13-11-22(12-14-23)24-8-4-5-15-28-24/h2-5,8-15H,6-7,16-21H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129426 (CHEMBL69451 | N-(4-(4-(2,3-dichlorophenyl)piperazi...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl Show InChI InChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-2,5-13H,3-4,14-19H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161217 (CHEMBL195057 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES Oc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-4-3-5-19(20(18)23)26-14-12-25(13-15-26)11-2-1-10-24-21(28)16-6-8-17(27)9-7-16/h1-9,27H,10-15H2,(H,24,28)/b2-1+	PDB UniProtKB/SwissProt 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 on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity for human dopamine D3 receptor				J Med Chem 48: 839-48 (2005) Article DOI: 10.1021/jm049465g BindingDB Entry DOI: 10.7270/Q27H1J4R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221565 (4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...) Show SMILES CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C28H31ClN6O3S/c1-3-35(15-14-34-12-4-5-13-34)39(37,38)23-9-6-21(7-10-23)30-28-31-27-19(2)16-20(17-26(27)32-33-28)24-18-22(36)8-11-25(24)29/h6-11,16-18,36H,3-5,12-15H2,1-2H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TargeGen, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 17: 5812-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.043 BindingDB Entry DOI: 10.7270/Q2M32VGM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50156916 ((1R)-3beta-(4-bromophenyl)tropane-2beta-carboxylic...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C16H20BrNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from DAT in rat striatal membrane				J Med Chem 49: 6621-5 (2006) Article DOI: 10.1021/jm0603973 BindingDB Entry DOI: 10.7270/Q2CZ36SM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50573366 (CHEMBL4861573) Show SMILES Cl.CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2)c1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.431	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01353 BindingDB Entry DOI: 10.7270/Q2BV7MF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50573380 (CHEMBL4873313) Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCOc2ccc3CCC(=O)Nc3c2)c1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.436	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01353 BindingDB Entry DOI: 10.7270/Q2BV7MF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50573381 (CHEMBL4864320) Show SMILES CCCN1C[C@@H](C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC)OCCCCOc1ccc2CCC(=O)Nc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.444	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01353 BindingDB Entry DOI: 10.7270/Q2BV7MF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50573383 (CHEMBL4850300) Show SMILES CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2C[C@H](CN2)OCCCCNC(=O)c2cc3ccccc3o2)c1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.493	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01353 BindingDB Entry DOI: 10.7270/Q2BV7MF8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50573385 (CHEMBL4846561) Show SMILES CCN1C[C@@H](C[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC)OCCCCNC(=O)c1cc2ccccc2o1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01353 BindingDB Entry DOI: 10.7270/Q2BV7MF8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303255 (2-amino-N-[(3-fluoro-6- methyl-2- pyridyl)methyl]-...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1nc(C)ccc1F |$;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C17H16FN5O2/c1-9-6-7-11(18)12(21-9)8-20-16(24)15-10-4-3-5-13(25-2)14(10)22-17(19)23-15/h3-7H,8H2,1-2H3,(H,20,24)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50201017 (CHEMBL3941632 | US10138212, Example 15) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(C)n1 Show InChI InChI=1S/C17H17N5O2/c1-10-5-3-6-11(20-10)9-19-16(23)15-12-7-4-8-13(24-2)14(12)21-17(18)22-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303313 (2-amino-8-fluoro-N-[(3- fluoro-6-methyl-2- pyridyl...) Show SMILES Cc1ccc(F)c(CNC(=O)c2nc(N)nc3c(F)cccc23)n1 |$;;;;;;;;HN;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C16H13F2N5O/c1-8-5-6-10(17)12(21-8)7-20-15(24)14-9-3-2-4-11(18)13(9)22-16(19)23-14/h2-6H,7H2,1H3,(H,20,24)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303298 (2-amino-8-fluoro-N-[(2- pyrazol-1- ylphenyl)methyl...) Show SMILES Nc1nc(C(=O)NCc2ccccc2-n2cccn2)c2cccc(F)c2n1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C19H15FN6O/c20-14-7-3-6-13-16(14)24-19(21)25-17(13)18(27)22-11-12-5-1-2-8-15(12)26-10-4-9-23-26/h1-10H,11H2,(H,22,27)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					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	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America as Represented by the Secretary of the Department of Health and Human Services; The University of North Texas Health Science Center at Fort Worth US Patent					Assay Description Methods for performing in vitro dopamine receptor binding studies are described in Huang et al. J. Med. Chem. 44:1815-1826 (2001) and Luedtke et al. ...				US Patent US8748608 (2014) BindingDB Entry DOI: 10.7270/Q2GT5KVC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM123847 (US8748608, 21) Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America as Represented by the Secretary of the Department of Health and Human Services; The University of North Texas Health Science Center at Fort Worth US Patent					Assay Description Methods for performing in vitro dopamine receptor binding studies are described in Huang et al. J. Med. Chem. 44:1815-1826 (2001) and Luedtke et al. ...				US Patent US8748608 (2014) BindingDB Entry DOI: 10.7270/Q2GT5KVC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129426 (CHEMBL69451 | N-(4-(4-(2,3-dichlorophenyl)piperazi...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl Show InChI InChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-2,5-13H,3-4,14-19H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity for human dopamine D3 receptor				J Med Chem 48: 839-48 (2005) Article DOI: 10.1021/jm049465g BindingDB Entry DOI: 10.7270/Q27H1J4R
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161238 (CHEMBL179960 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3cccnc3)CC2)c1Cl Show InChI InChI=1S/C26H28Cl2N4O/c27-23-6-3-7-24(25(23)28)32-17-15-31(16-18-32)14-2-1-13-30-26(33)21-10-8-20(9-11-21)22-5-4-12-29-19-22/h3-12,19H,1-2,13-18H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity for human dopamine D3 receptor				J Med Chem 48: 839-48 (2005) Article DOI: 10.1021/jm049465g BindingDB Entry DOI: 10.7270/Q27H1J4R
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM303145 (2-amino-8-methoxy-N- [[6-(2,2,2-trifluoro-1- hydro...) Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(C)(O)C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$| Show InChI InChI=1S/C19H18F3N5O3/c1-18(29,19(20,21)22)13-8-3-5-10(25-13)9-24-16(28)15-11-6-4-7-12(30-2)14(11)26-17(23)27-15/h3-8,29H,9H2,1-2H3,(H,24,28)(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...				US Patent US10138212 (2018) BindingDB Entry DOI: 10.7270/Q2WM1GGB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50219111 (CHEMBL390253 | N-(4-(4-(2,3-dichlorophenyl)piperaz...) Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0| Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells				J Med Chem 50: 4135-46 (2007) Article DOI: 10.1021/jm0704200 BindingDB Entry DOI: 10.7270/Q2WW7HDW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221557 ((4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C26H25ClN6O2/c1-16-13-18(21-15-20(34)7-8-22(21)27)14-23-24(16)29-26(31-30-23)28-19-5-3-17(4-6-19)25(35)33-11-9-32(2)10-12-33/h3-8,13-15,34H,9-12H2,1-2H3,(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TargeGen, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 17: 5812-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.043 BindingDB Entry DOI: 10.7270/Q2M32VGM
					More data for this Ligand-Target Pair

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