Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'ross' and Initial = 'tm'   

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-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	0.00860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	0.00860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085683 ((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...) Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085683 ((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...) Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085679 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2sccc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085679 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2sccc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085678 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085678 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50058526 ((S)-3-{[(1S,9S)-9-(4-Carboxymethoxy-benzoylamino)-...) Show SMILES OC(=O)COc1ccc(cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C23H26N4O10/c28-11-14(10-19(30)31)24-22(35)17-2-1-9-26-18(29)8-7-16(23(36)27(17)26)25-21(34)13-3-5-15(6-4-13)37-12-20(32)33/h3-6,11,14,16-17H,1-2,7-10,12H2,(H,24,35)(H,25,34)(H,30,31)(H,32,33)/t14-,16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Winthrop Inc. Curated by ChEMBL					Assay Description Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)				J Med Chem 40: 1941-6 (1997) Article DOI: 10.1021/jm9701637 BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50058530 ((S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dio...) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1F)C=O Show InChI InChI=1S/C21H23FN4O7/c22-14-5-2-1-4-13(14)19(31)24-15-7-8-17(28)25-9-3-6-16(26(25)21(15)33)20(32)23-12(11-27)10-18(29)30/h1-2,4-5,11-12,15-16H,3,6-10H2,(H,23,32)(H,24,31)(H,29,30)/t12-,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Winthrop Inc. Curated by ChEMBL					Assay Description Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)				J Med Chem 40: 1941-6 (1997) Article DOI: 10.1021/jm9701637 BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085680 (4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole...) Show SMILES C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8| Show InChI InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085680 (4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole...) Show SMILES C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8| Show InChI InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085681 (4-Benzo[b]thiophen-4-yl-1H-imidazole | CHEMBL30534) Show SMILES c1cc2c(cccc2s1)-c1c[nH]cn1 Show InChI InChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085681 (4-Benzo[b]thiophen-4-yl-1H-imidazole | CHEMBL30534) Show SMILES c1cc2c(cccc2s1)-c1c[nH]cn1 Show InChI InChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085676 (4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophe...) Show SMILES Cc1sc(C)c2C(CCCc12)c1cnc[nH]1 Show InChI InChI=1S/C13H16N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h6-7,11H,3-5H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085676 (4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophe...) Show SMILES Cc1sc(C)c2C(CCCc12)c1cnc[nH]1 Show InChI InChI=1S/C13H16N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h6-7,11H,3-5H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085682 (4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...) Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8| Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2D adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085682 (4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...) Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8| Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50058528 ((S)-3-[((1S,9S)-9-Benzoylamino-6,10-dioxo-octahydr...) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1)C=O Show InChI InChI=1S/C21H24N4O7/c26-12-14(11-18(28)29)22-20(31)16-7-4-10-24-17(27)9-8-15(21(32)25(16)24)23-19(30)13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2,(H,22,31)(H,23,30)(H,28,29)/t14-,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Winthrop Inc. Curated by ChEMBL					Assay Description Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)				J Med Chem 40: 1941-6 (1997) Article DOI: 10.1021/jm9701637 BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085683 ((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...) Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description in vitro alpha-2A adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50085683 ((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...) Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested for Binding affinity towards alpha-1 adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50058527 ((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C14H23N3O7/c1-6(2)11(16-8(4)18)13(22)15-7(3)12(21)17-9(14(23)24)5-10(19)20/h6-7,9,11H,5H2,1-4H3,(H,15,22)(H,16,18)(H,17,21)(H,19,20)(H,23,24)/t7-,9-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Winthrop Inc. Curated by ChEMBL					Assay Description Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)				J Med Chem 40: 1941-6 (1997) Article DOI: 10.1021/jm9701637 BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176519 ((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C20H27N3O7/c1-12(2)17(23-20(29)30-11-14-7-5-4-6-8-14)19(28)21-13(3)18(27)22-15(10-24)9-16(25)26/h4-8,10,12-13,15,17H,9,11H2,1-3H3,(H,21,28)(H,22,27)(H,23,29)(H,25,26)/t13-,15-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against IL-1 beta converting enzyme				Bioorg Med Chem Lett 5: 315-318 (1995) Article DOI: 10.1016/0960-894X(95)00027-Q BindingDB Entry DOI: 10.7270/Q2668D5S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50286304 ((R)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(O)=O)C=O Show InChI InChI=1S/C20H27N3O7/c1-12(2)17(23-20(29)30-11-14-7-5-4-6-8-14)19(28)21-13(3)18(27)22-15(10-24)9-16(25)26/h4-8,10,12-13,15,17H,9,11H2,1-3H3,(H,21,28)(H,22,27)(H,23,29)(H,25,26)/t13-,15+,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against IL-1 beta converting enzyme				Bioorg Med Chem Lett 5: 315-318 (1995) Article DOI: 10.1016/0960-894X(95)00027-Q BindingDB Entry DOI: 10.7270/Q2668D5S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50058529 ((S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C20H27N3O8/c1-11(2)16(23-20(30)31-10-13-7-5-4-6-8-13)18(27)21-12(3)17(26)22-14(19(28)29)9-15(24)25/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,21,27)(H,22,26)(H,23,30)(H,24,25)(H,28,29)/t12-,14-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Winthrop Inc. Curated by ChEMBL					Assay Description Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)				J Med Chem 40: 1941-6 (1997) Article DOI: 10.1021/jm9701637 BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Alpha-2A adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description in vitro alpha-2A adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50058531 ((S)-3-[((1S,9S)-9-Benzyloxycarbonylamino-6,10-diox...) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C22H26N4O8/c27-12-15(11-19(29)30)23-20(31)17-7-4-10-25-18(28)9-8-16(21(32)26(17)25)24-22(33)34-13-14-5-2-1-3-6-14/h1-3,5-6,12,15-17H,4,7-11,13H2,(H,23,31)(H,24,33)(H,29,30)/t15-,16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Winthrop Inc. Curated by ChEMBL					Assay Description Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)				J Med Chem 40: 1941-6 (1997) Article DOI: 10.1021/jm9701637 BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description in vitro alpha2C adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards alpha-2C adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50085678 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Alpha-2A adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085678 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description in vitro alpha-2A adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50085676 (4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophe...) Show SMILES Cc1sc(C)c2C(CCCc12)c1cnc[nH]1 Show InChI InChI=1S/C13H16N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h6-7,11H,3-5H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested for Binding affinity towards alpha-1 adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50286369 (2-(N',N''-Dicyclohexyl-guanidino)-3-naphthalen-2-y...) Show SMILES [#6]-[#6]-[#6]-[#6][P+]([#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](\[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 |r| Show InChI InChI=1S/C45H67N4OP/c1-4-7-30-51(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(50)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,50)/p+1/t43-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2				Bioorg Med Chem Lett 5: 357-362 (1995) Article DOI: 10.1016/0960-894X(95)00035-R BindingDB Entry DOI: 10.7270/Q2S75GTM
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50286372 (2-(N',N''-Dicyclohexyl-guanidino)-3-naphthalen-2-y...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6][P+]([#6]-[#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 |r| Show InChI InChI=1S/C48H73N4OP/c1-4-7-18-33-54(34-19-8-5-2,35-20-9-6-3)38-39-28-31-45(32-29-39)49-47(53)46(37-40-27-30-41-21-16-17-22-42(41)36-40)52-48(50-43-23-12-10-13-24-43)51-44-25-14-11-15-26-44/h16-17,21-22,27-32,36,43-44,46H,4-15,18-20,23-26,33-35,37-38H2,1-3H3,(H2-,49,50,51,52,53)/p+1/t46-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2				Bioorg Med Chem Lett 5: 357-362 (1995) Article DOI: 10.1016/0960-894X(95)00035-R BindingDB Entry DOI: 10.7270/Q2S75GTM
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50085676 (4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophe...) Show SMILES Cc1sc(C)c2C(CCCc12)c1cnc[nH]1 Show InChI InChI=1S/C13H16N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h6-7,11H,3-5H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Alpha-2A adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50085676 (4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophe...) Show SMILES Cc1sc(C)c2C(CCCc12)c1cnc[nH]1 Show InChI InChI=1S/C13H16N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h6-7,11H,3-5H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description in vitro alpha-2A adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50286365 (2-(N',N''-Dicyclohexyl-N-methyl-guanidino)-3-napht...) Show SMILES CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N(C)C(\NC2CCCCC2)=N\C2CCCCC2)cc1 |r| Show InChI InChI=1S/C46H69N4OP/c1-5-8-31-52(32-9-6-2,33-10-7-3)36-37-26-29-43(30-27-37)47-45(51)44(35-38-25-28-39-19-17-18-20-40(39)34-38)50(4)46(48-41-21-13-11-14-22-41)49-42-23-15-12-16-24-42/h17-20,25-30,34,41-42,44H,5-16,21-24,31-33,35-36H2,1-4H3,(H-,47,48,49,51)/p+1/t44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2				Bioorg Med Chem Lett 5: 357-362 (1995) Article DOI: 10.1016/0960-894X(95)00035-R BindingDB Entry DOI: 10.7270/Q2S75GTM
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50085679 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2sccc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested for Binding affinity towards alpha-1 adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50085678 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Alpha-2B adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (NEONATAL RAT)	BDBM50085678 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description in vitro alpha-2B adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Alpha-2B adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (NEONATAL RAT)	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description in vitro alpha-2B adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand				J Med Chem 43: 1423-6 (2001) BindingDB Entry DOI: 10.7270/Q2C828HK
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50085678 (4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...) Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1 Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested for Binding affinity towards alpha-1 adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50286357 (2-(N',N''-Dicyclohexyl-guanidino)-3-naphthalen-2-y...) Show SMILES O=[#6](-[#7]-c1ccc(-[#6][P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)-[#6@H](-[#6]-c1ccc2ccccc2c1)\[#7]=[#6](/[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r| Show InChI InChI=1S/C51H55N4OP/c56-50(52-45-34-31-39(32-35-45)38-57(46-24-10-3-11-25-46,47-26-12-4-13-27-47)48-28-14-5-15-29-48)49(37-40-30-33-41-18-16-17-19-42(41)36-40)55-51(53-43-20-6-1-7-21-43)54-44-22-8-2-9-23-44/h3-5,10-19,24-36,43-44,49H,1-2,6-9,20-23,37-38H2,(H2-,52,53,54,55,56)/p+1/t49-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2				Bioorg Med Chem Lett 5: 357-362 (1995) Article DOI: 10.1016/0960-894X(95)00035-R BindingDB Entry DOI: 10.7270/Q2S75GTM
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50085677 (4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...) Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10| Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested for Binding affinity towards alpha-1 adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Tested for Binding affinity towards alpha-1 adrenergic receptor				J Med Chem 43: 765-8 (2000) BindingDB Entry DOI: 10.7270/Q2251HDX
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50286383 ((S)-2-(N',N''-Di-p-tolyl-guanidino)-3-naphthalen-2...) Show SMILES [#6]-[#6]-[#6]-[#6][P+]([#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](\[#7]-c2ccc(-[#6])cc2)-[#7]-c2ccc(-[#6])cc2)cc1 |r| Show InChI InChI=1S/C47H59N4OP/c1-6-9-30-53(31-10-7-2,32-11-8-3)35-38-21-28-42(29-22-38)48-46(52)45(34-39-20-23-40-14-12-13-15-41(40)33-39)51-47(49-43-24-16-36(4)17-25-43)50-44-26-18-37(5)19-27-44/h12-29,33,45H,6-11,30-32,34-35H2,1-5H3,(H2-,48,49,50,51,52)/p+1/t45-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2				Bioorg Med Chem Lett 5: 357-362 (1995) Article DOI: 10.1016/0960-894X(95)00035-R BindingDB Entry DOI: 10.7270/Q2S75GTM
					More data for this Ligand-Target Pair

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