Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50008227   

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
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071656 (2-{4-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-pip...) Show SMILES O=C1N(CCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)c2ccccc12 Show InChI InChI=1S/C24H26N4O3/c29-22-18-7-1-2-8-19(18)23(30)27(22)14-6-5-13-26-15-11-17(12-16-26)28-21-10-4-3-9-20(21)25-24(28)31/h1-4,7-10,17H,5-6,11-16H2,(H,25,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071652 (6-Fluoro-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Fc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1 Show InChI InChI=1S/C23H24FN3O5S/c24-16-7-8-19-20(15-16)32-23(29)27(19)17-9-13-25(14-10-17)11-3-4-12-26-22(28)18-5-1-2-6-21(18)33(26,30)31/h1-2,5-8,15,17H,3-4,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071654 (3-{1-[4-(5-Methylsulfanyl-1,1,3-trioxo-1,3-dihydro...) Show SMILES CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C24H27N3O5S2/c1-33-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071646 (3-{1-[4-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo...) Show SMILES O=C1N(CCCCN2CCC(CC2)n2c3ccccc3oc2=O)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C23H25N3O5S/c27-22-18-7-1-4-10-21(18)32(29,30)25(22)14-6-5-13-24-15-11-17(12-16-24)26-19-8-2-3-9-20(19)31-23(26)28/h1-4,7-10,17H,5-6,11-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071655 (3-{1-[4-(5-Methoxy-1,1,3-trioxo-1,3-dihydro-1lambd...) Show SMILES COc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C24H27N3O6S/c1-32-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)33-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071651 (3-{1-[4-(5-Methyl-1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C24H27N3O5S/c1-17-8-9-22-19(16-17)23(28)26(33(22,30)31)13-5-4-12-25-14-10-18(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16,18H,4-5,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071647 (3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071660 (5-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C24H27N3O5S/c1-17-8-9-21-20(16-17)27(24(29)32-21)18-10-14-25(15-11-18)12-4-5-13-26-23(28)19-6-2-3-7-22(19)33(26,30)31/h2-3,6-9,16,18H,4-5,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071649 (3-{1-[4-(5-Fluoro-1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Fc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C23H24FN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071653 (3-{1-[4-(6-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...) Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1 Show InChI InChI=1S/C23H24N4O7S/c28-22-18-8-7-17(27(30)31)15-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071657 (5,7-Dimethyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1la...) Show SMILES Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C25H29N3O5S/c1-17-15-18(2)23-21(16-17)28(25(30)33-23)19-9-13-26(14-10-19)11-5-6-12-27-24(29)20-7-3-4-8-22(20)34(27,31)32/h3-4,7-8,15-16,19H,5-6,9-14H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071661 (3-{1-[4-(5-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...) Show SMILES [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C23H24N4O7S/c28-22-18-15-17(27(30)31)7-8-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071650 (6-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Cc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1 Show InChI InChI=1S/C24H27N3O5S/c1-17-8-9-20-21(16-17)32-24(29)27(20)18-10-14-25(15-11-18)12-4-5-13-26-23(28)19-6-2-3-7-22(19)33(26,30)31/h2-3,6-9,16,18H,4-5,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	301	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071659 (3-{1-[4-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo...) Show SMILES O=C1N(CCCCN2CCC(CC2)n2c3cc4CCCCc4cc3oc2=O)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C27H31N3O5S/c31-26-22-9-3-4-10-25(22)36(33,34)29(26)14-6-5-13-28-15-11-21(12-16-28)30-23-17-19-7-1-2-8-20(19)18-24(23)35-27(30)32/h3-4,9-10,17-18,21H,1-2,5-8,11-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071648 (4-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 Show InChI InChI=1S/C24H27N3O5S/c1-17-7-6-9-20-22(17)27(24(29)32-20)18-11-15-25(16-12-18)13-4-5-14-26-23(28)19-8-2-3-10-21(19)33(26,30)31/h2-3,6-10,18H,4-5,11-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071645 (6-Methoxy-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambd...) Show SMILES COc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1 Show InChI InChI=1S/C24H27N3O6S/c1-32-18-8-9-20-21(16-18)33-24(29)27(20)17-10-14-25(15-11-17)12-4-5-13-26-23(28)19-6-2-3-7-22(19)34(26,30)31/h2-3,6-9,16-17H,4-5,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50071662 (2-Oxo-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda*6*...) Show SMILES COC(=O)c1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1 Show InChI InChI=1S/C25H27N3O7S/c1-34-24(30)17-8-9-20-21(16-17)35-25(31)28(20)18-10-14-26(15-11-18)12-4-5-13-27-23(29)19-6-2-3-7-22(19)36(27,32)33/h2-3,6-9,16,18H,4-5,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair