Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50037183   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(1A) dopamine receptor (RAT)	BDBM50131935 (CHEMBL126590 | Pyrrolo[1,2-a]quinoxaline-4-carboxy...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2nc3ccccc3n3cccc23)CC1 Show InChI InChI=1S/C27H31N5O2/c1-34-25-13-5-4-11-23(25)31-19-17-30(18-20-31)15-7-6-14-28-27(33)26-24-12-8-16-32(24)22-10-3-2-9-21(22)29-26/h2-5,8-13,16H,6-7,14-15,17-20H2,1H3,(H,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	778	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131934 (CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1 Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131932 (CHEMBL127344 | Quinoxaline-2-carboxylic acid {4-[4...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3n2)CC1 Show InChI InChI=1S/C24H29N5O2/c1-31-23-11-5-4-10-22(23)29-16-14-28(15-17-29)13-7-6-12-25-24(30)21-18-26-19-8-2-3-9-20(19)27-21/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131926 (CHEMBL127400 | CHEMBL129022 | Isoquinoline-3-carbo...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-16-14-28(15-17-29)13-7-6-12-26-25(30)22-18-20-8-2-3-9-21(20)19-27-22/h2-5,8-11,18-19H,6-7,12-17H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131920 (2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc34)C2=O)CC1 Show InChI InChI=1S/C26H32N4O2/c1-32-25-11-5-4-10-23(25)28-16-14-27(15-17-28)12-6-7-13-29-18-19-30-22-9-3-2-8-21(22)20-24(30)26(29)31/h2-5,8-11,20H,6-7,12-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131936 (Benzofuran-2-carboxylic acid {4-[4-(3,4-dichloro-p...) Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 Show InChI InChI=1S/C23H25Cl2N3O2/c24-19-8-7-18(16-20(19)25)28-13-11-27(12-14-28)10-4-3-9-26-23(29)22-15-17-5-1-2-6-21(17)30-22/h1-2,5-8,15-16H,3-4,9-14H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50119380 (CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131923 (Benzofuran-2-carboxylic acid {4-[4-(2,4-dichloro-p...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H25Cl2N3O2/c24-18-7-8-20(19(25)16-18)28-13-11-27(12-14-28)10-4-3-9-26-23(29)22-15-17-5-1-2-6-21(17)30-22/h1-2,5-8,15-16H,3-4,9-14H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131921 (CHEMBL340641 | Isoquinoline-3-carboxylic acid {4-[...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H26Cl2N4O/c25-20-7-8-23(21(26)16-20)30-13-11-29(12-14-30)10-4-3-9-27-24(31)22-15-18-5-1-2-6-19(18)17-28-22/h1-2,5-8,15-17H,3-4,9-14H2,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131929 (CHEMBL123952 | {2-[4-(2-Methoxy-phenyl)-piperazin-...) Show SMILES COc1ccccc1N1CCN(CCNCc2coc(n2)-c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C27H30N4O2/c1-32-26-9-5-4-8-25(26)31-16-14-30(15-17-31)13-12-28-19-24-20-33-27(29-24)23-11-10-21-6-2-3-7-22(21)18-23/h2-11,18,20,28H,12-17,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131927 ((2-Benzofuran-2-yl-oxazol-4-ylmethyl)-{2-[4-(2-met...) Show SMILES COc1ccccc1N1CCN(CCNCc2coc(n2)-c2cc3ccccc3o2)CC1 Show InChI InChI=1S/C25H28N4O3/c1-30-23-9-5-3-7-21(23)29-14-12-28(13-15-29)11-10-26-17-20-18-31-25(27-20)24-16-19-6-2-4-8-22(19)32-24/h2-9,16,18,26H,10-15,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131930 (5-Chloro-1H-indole-2-carboxylic acid {4-[4-(2,4-di...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50131925 (1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.				J Med Chem 46: 3822-39 (2003) Article DOI: 10.1021/jm0211220 BindingDB Entry DOI: 10.7270/Q2H132RF
					More data for this Ligand-Target Pair