Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'mellin' and Initial = 'c'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Affinity of the compound for 5-hydroxytryptamine 1A receptor site				J Med Chem 32: 2311-8 (1989) BindingDB Entry DOI: 10.7270/Q2CJ8CGD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011261 ((+)7-Dipropylamino-8-methyl-5,6,7,8-tetrahydro-nap...) Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@@H]1C Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011252 (7-Dipropylamino-8-methyl-5,6,7,8-tetrahydro-naphth...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2[C@H]1C Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011252 (7-Dipropylamino-8-methyl-5,6,7,8-tetrahydro-naphth...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2[C@H]1C Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011246 (4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quin...) Show SMILES CCCN1CCC[C@@H]2[C@@H]1CCc1cccc(O)c21 Show InChI InChI=1S/C16H23NO/c1-2-10-17-11-4-6-13-14(17)9-8-12-5-3-7-15(18)16(12)13/h3,5,7,13-14,18H,2,4,6,8-11H2,1H3/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011247 (7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011247 (7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50453032 (CHEMBL2368632) Show SMILES Br.CCCN(CCC)[C@H]1C[C@H]1c1ccccc1O |r| Show InChI InChI=1S/C15H23NO.BrH/c1-3-9-16(10-4-2)14-11-13(14)12-7-5-6-8-15(12)17;/h5-8,13-14,17H,3-4,9-11H2,1-2H3;1H/t13-,14-;/m0./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50453033 (CHEMBL2368621) Show SMILES Br.CCCN(CCC)[C@H]1C[C@H]1c1cccc(O)c1 |r| Show InChI InChI=1S/C15H23NO.BrH/c1-3-8-16(9-4-2)15-11-14(15)12-6-5-7-13(17)10-12;/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3;1H/t14-,15-;/m0./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50018586 (8-Dipropylamino-6,7,8,9-tetrahydro-5H-benzocyclohe...) Show SMILES CCCN(CCC)[C@@H]1CCCc2cccc(O)c2C1 Show InChI InChI=1S/C17H27NO/c1-3-11-18(12-4-2)15-9-5-7-14-8-6-10-17(19)16(14)13-15/h6,8,10,15,19H,3-5,7,9,11-13H2,1-2H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Affinity of the compound for 5-hydroxytryptamine 1A receptor site				J Med Chem 32: 2311-8 (1989) BindingDB Entry DOI: 10.7270/Q2CJ8CGD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011251 (4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quin...) Show SMILES CCCN1CCC[C@H]2[C@H]1CCc1cccc(O)c21 Show InChI InChI=1S/C16H23NO/c1-2-10-17-11-4-6-13-14(17)9-8-12-5-3-7-15(18)16(12)13/h3,5,7,13-14,18H,2,4,6,8-11H2,1H3/t13-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011265 ((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...) Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011265 ((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...) Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011248 (1-Propyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...) Show SMILES CCCN1CCC[C@H]2Cc3cccc(O)c3C[C@@H]12 Show InChI InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-12-5-3-7-16(18)14(12)11-15(13)17/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50018585 (8-Dipropylamino-6,7,8,9-tetrahydro-5H-benzocyclohe...) Show SMILES CCCN(CCC)[C@H]1CCCc2cccc(O)c2C1 Show InChI InChI=1S/C17H27NO/c1-3-11-18(12-4-2)15-9-5-7-14-8-6-10-17(19)16(14)13-15/h6,8,10,15,19H,3-5,7,9,11-13H2,1-2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Affinity of the compound for 5-hydroxytryptamine 1A receptor site				J Med Chem 32: 2311-8 (1989) BindingDB Entry DOI: 10.7270/Q2CJ8CGD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011262 (7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-naphth...) Show SMILES CCCN(CCC)[C@@H]1Cc2c(O)cccc2C[C@@H]1C Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	394	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368163 (CHEMBL545098) Show SMILES CCCN(CCC)[C@@H]1C[C@@H]1c1cccc(O)c1 |r| Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)15-11-14(15)12-6-5-7-13(17)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3/t14-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011256 ((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...) Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@H]1C Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	656	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011256 ((+)-7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-na...) Show SMILES CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@H]1C Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	656	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50368165 (CHEMBL540354) Show SMILES CCCN(CCC)[C@@H]1C[C@@H]1c1ccccc1O |r| Show InChI InChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13(14)12-7-5-6-8-15(12)17/h5-8,13-14,17H,3-4,9-11H2,1-2H3/t13-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	923	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011263 (7-Dipropylamino-7-methyl-5,6,7,8-tetrahydro-naphth...) Show SMILES CCCN(CCC)C1(C)CCc2cccc(O)c2C1 Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)17(3)10-9-14-7-6-8-16(19)15(14)13-17/h6-8,19H,4-5,9-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011257 (7-Dipropylamino-6-methyl-5,6,7,8-tetrahydro-naphth...) Show SMILES CCCN(CCC)[C@@H]1Cc2c(O)cccc2C[C@H]1C Show InChI InChI=1S/C17H27NO/c1-4-9-18(10-5-2)16-12-15-14(11-13(16)3)7-6-8-17(15)19/h6-8,13,16,19H,4-5,9-12H2,1-3H3/t13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011249 (1-Propyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...) Show SMILES CCCN1CCC[C@@H]2Cc3cccc(O)c3C[C@@H]12 Show InChI InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-12-5-3-7-16(18)14(12)11-15(13)17/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011252 (7-Dipropylamino-8-methyl-5,6,7,8-tetrahydro-naphth...) Show SMILES CCCN(CCC)[C@H]1CCc2cccc(O)c2[C@H]1C Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011253 (1-Propyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...) Show SMILES CCCN1CCC[C@H]2Cc3cccc(O)c3C[C@H]12 Show InChI InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-12-5-3-7-16(18)14(12)11-15(13)17/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011258 (7-Dipropylamino-6,6-dimethyl-5,6,7,8-tetrahydro-na...) Show SMILES CCCN(CCC)C1Cc2c(O)cccc2CC1(C)C Show InChI InChI=1S/C18H29NO/c1-5-10-19(11-6-2)17-12-15-14(13-18(17,3)4)8-7-9-16(15)20/h7-9,17,20H,5-6,10-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50011255 (1-Propyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...) Show SMILES CCCN1CCC[C@@H]2Cc3cccc(O)c3C[C@H]12 Show InChI InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-12-5-3-7-16(18)14(12)11-15(13)17/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 34: 497-510 (1991) BindingDB Entry DOI: 10.7270/Q2PK0GRB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18864 (3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...) Show SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 Show InChI InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18865 (3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18864 (3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...) Show SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 Show InChI InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0410	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18862 (2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...) Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18867 (2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C17H16Br2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.0950	n/a	0.200	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18865 (3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18863 ((2R)-2-amino-3-{4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(O)=O)cc2I)ccc1O |r| Show InChI InChI=1S/C18H19I2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18862 (2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...) Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18863 ((2R)-2-amino-3-{4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(O)=O)cc2I)ccc1O |r| Show InChI InChI=1S/C18H19I2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50040674 (1-((S)-1-Isobutyl-2-oxo-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CC(C)CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C27H26N8O2/c1-17(2)16-35-22-11-7-6-10-21(22)23(18-8-4-3-5-9-18)29-25(26(35)36)30-27(37)28-20-14-12-19(13-15-20)24-31-33-34-32-24/h3-15,17,25H,16H2,1-2H3,(H2,28,30,37)(H,31,32,33,34)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.142	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand				J Med Chem 37: 722-4 (1994) BindingDB Entry DOI: 10.7270/Q2CN72ZM
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18870 (3-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CCC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C18H18Cl2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.150	n/a	0.280	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (docked)
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043556 (CHEMBL137516 | N,N-Diethyl-2-{3-[3-(3-methoxy-phen...) Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(OC)c2)C1=O)c1ccccc1 |c:16| Show InChI InChI=1S/C29H31N5O4/c1-4-33(5-2)25(35)19-34-24-17-10-9-16-23(24)26(20-12-7-6-8-13-20)31-27(28(34)36)32-29(37)30-21-14-11-15-22(18-21)38-3/h6-18,27H,4-5,19H2,1-3H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043546 (1-(3-Methoxy-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidi...) Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 |t:12| Show InChI InChI=1S/C29H29N5O4/c1-38-22-13-9-12-21(18-22)30-29(37)32-27-28(36)34(19-25(35)33-16-7-8-17-33)24-15-6-5-14-23(24)26(31-27)20-10-3-2-4-11-20/h2-6,9-15,18,27H,7-8,16-17,19H2,1H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50456295 (CHEMBL2111920) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-14-8-5-11-16(19)20(15-9-3-2-4-10-15)26-21(22(28)29)27-23(30)25-18-13-7-6-12-17(18)24/h2-14,21H,1H3,(H2,25,27,30)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50040678 (1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H20N6O4/c1-31-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)27-22(23(31)32)28-24(33)26-17-13-11-16(12-14-17)21-29-25(34)35-30-21/h2-14,22H,1H3,(H2,26,28,33)(H,29,30,34)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.266	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand				J Med Chem 37: 722-4 (1994) BindingDB Entry DOI: 10.7270/Q2CN72ZM
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043493 (CHEMBL313813 | N,N-Diethyl-2-[2-oxo-5-pyridin-2-yl...) Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccn1 |c:16| Show InChI InChI=1S/C28H30N6O3/c1-4-33(5-2)24(35)18-34-23-15-7-6-13-21(23)25(22-14-8-9-16-29-22)31-26(27(34)36)32-28(37)30-20-12-10-11-19(3)17-20/h6-17,26H,4-5,18H2,1-3H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043575 (2-{3-[3-(4-Chloro-phenyl)-ureido]-2-oxo-5-phenyl-2...) Show SMILES CCN(CC)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:16| Show InChI InChI=1S/C28H28ClN5O3/c1-3-33(4-2)24(35)18-34-23-13-9-8-12-22(23)25(19-10-6-5-7-11-19)31-26(27(34)36)32-28(37)30-21-16-14-20(29)15-17-21/h5-17,26H,3-4,18H2,1-2H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18870 (3-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CCC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C18H18Cl2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.760	n/a	0.300	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50043548 (1-(4-Chloro-phenyl)-3-{1-[2-(4-methyl-piperazin-1-...) Show SMILES CN1CCN(CC1)C(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:19| Show InChI InChI=1S/C29H29ClN6O3/c1-34-15-17-35(18-16-34)25(37)19-36-24-10-6-5-9-23(24)26(20-7-3-2-4-8-20)32-27(28(36)38)33-29(39)31-22-13-11-21(30)12-14-22/h2-14,27H,15-19H2,1H3,(H2,31,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50020269 ((RS)-{3-[3-(4-Chloro-phenyl)-ureido]-2-oxo-5-pheny...) Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)Nc2ccc(Cl)cc2)C1=O)c1ccccc1 |c:14| Show InChI InChI=1S/C26H23ClN4O4/c1-2-35-22(32)16-31-21-11-7-6-10-20(21)23(17-8-4-3-5-9-17)29-24(25(31)33)30-26(34)28-19-14-12-18(27)13-15-19/h3-15,24H,2,16H2,1H3,(H2,28,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 318 total )  |  Next  |  Last  >>

Jump to: