Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'blanchard' and Initial = 'jc'   

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
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50016504 ((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010044 (2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against 5-hydroxytryptamine 2 receptor (in vivo)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to CCK-8 receptor of guinea pig brain				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor (Mus musculus-MOUSE)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Potency in displacing [3H]propionyl-Cholecystokinin from mouse brain membranes.				J Med Chem 31: 966-70 (1988) BindingDB Entry DOI: 10.7270/Q2XP775P
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against 5-hydroxytryptamine 2 receptor (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50016504 ((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50016506 (CHEMBL262687 | Sodium; (4-{2-(2-acetylamino-3-carb...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50016503 (Boc-Asp-D-Tyr(SO3Na)-Nle-Gly-Trp-Nle-Asp-Phe-NH2 |...) Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50016506 (CHEMBL262687 | Sodium; (4-{2-(2-acetylamino-3-carb...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to CCK-8 receptor of guinea pig pancreatic membrane				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against histamine H1 receptor (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50016505 (CHEMBL217767 | Sodium; (4-{2-(2-acetylamino-3-carb...) Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50016505 (CHEMBL217767 | Sodium; (4-{2-(2-acetylamino-3-carb...) Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against dopamine receptor D2 (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50010044 (2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against histamine H1 receptor (in vivo)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against Alpha-1 adrenergic receptor (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50016503 (Boc-Asp-D-Tyr(SO3Na)-Nle-Gly-Trp-Nle-Asp-Phe-NH2 |...) Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane				J Med Chem 32: 445-9 (1989) BindingDB Entry DOI: 10.7270/Q2S181GT
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50010044 (2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against Alpha-1 adrenergic receptor (in vivo)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50010044 (2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against 5-hydroxytryptamine 1A receptor (in vivo)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against 5-hydroxytryptamine 1A receptor (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010044 (2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against dopamine receptor D2 (in vivo)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010041 (CHEMBL84087 | {1-[3-(1,1-Dioxo-1H-1lambda*6*-napht...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C25H25FN2O3S/c26-21-10-8-19(9-11-21)25(29)20-12-16-27(17-13-20)14-3-15-28-22-6-1-4-18-5-2-7-23(24(18)22)32(28,30)31/h1-2,4-11,20H,3,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047103 (2-{3-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=S1(=O)N(CCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:10| Show InChI InChI=1S/C26H25N3O2S/c30-32(31)25-11-4-7-20-6-3-10-24(26(20)25)29(32)15-5-14-28-16-12-19(13-17-28)22-18-27-23-9-2-1-8-21(22)23/h1-4,6-12,18,27H,5,13-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010048 (2-[3-(4-Phenyl-piperidin-1-yl)-propyl]-2H-naphtho[...) Show SMILES O=S1(=O)N(CCCN2CCC(CC2)c2ccccc2)c2cccc3cccc1c23 Show InChI InChI=1S/C24H26N2O2S/c27-29(28)23-12-5-10-21-9-4-11-22(24(21)23)26(29)16-6-15-25-17-13-20(14-18-25)19-7-2-1-3-8-19/h1-5,7-12,20H,6,13-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047089 (2-{3-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H24FN3O2S/c27-20-8-9-23-21(16-20)22(17-28-23)18-10-14-29(15-11-18)12-3-13-30-24-6-1-4-19-5-2-7-25(26(19)24)33(30,31)32/h1-2,4-10,16-17,28H,3,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010049 (4-{4-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...) Show SMILES Oc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H25N3O3S/c27-20-10-8-19(9-11-20)25-16-14-24(15-17-25)12-3-13-26-21-6-1-4-18-5-2-7-22(23(18)21)30(26,28)29/h1-2,4-11,27H,3,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047108 (2-{2-[4-(6-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2c(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c[nH]c2c1 Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-22-20(17-28-23(22)16-21)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047092 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6CCCn(c56)c4=O)CC3)c2c1 Show InChI InChI=1S/C26H29FN4O/c27-21-6-7-23-22(16-21)20(17-28-23)15-18-8-11-29(12-9-18)13-14-30-24-5-1-3-19-4-2-10-31(25(19)24)26(30)32/h1,3,5-7,16-18,28H,2,4,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047100 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010038 (2-[3-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pr...) Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3cccc1c23 Show InChI InChI=1S/C24H24N4O2S2/c29-32(30)22-11-4-7-18-6-3-9-20(23(18)22)28(32)13-5-12-26-14-16-27(17-15-26)24-19-8-1-2-10-21(19)31-25-24/h1-4,6-11H,5,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Binding constant against dopamine receptor D2 (in vivo)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010044 (2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047086 (2-{3-[4-(1-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Cn1cc(C2=CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:4| Show InChI InChI=1S/C27H27N3O2S/c1-28-19-23(22-9-2-3-10-24(22)28)20-13-17-29(18-14-20)15-6-16-30-25-11-4-7-21-8-5-12-26(27(21)25)33(30,31)32/h2-5,7-13,19H,6,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047097 (2-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=S1(=O)N(CCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:9| Show InChI InChI=1S/C25H23N3O2S/c29-31(30)24-10-4-6-19-5-3-9-23(25(19)24)28(31)16-15-27-13-11-18(12-14-27)21-17-26-22-8-2-1-7-20(21)22/h1-11,17,26H,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047110 (2-{4-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=S1(=O)N(CCCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:11| Show InChI InChI=1S/C27H27N3O2S/c31-33(32)26-12-6-8-21-7-5-11-25(27(21)26)30(33)16-4-3-15-29-17-13-20(14-18-29)23-19-28-24-10-2-1-9-22(23)24/h1-2,5-13,19,28H,3-4,14-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50229423 (CHEMBL82229) Show SMILES Fc1ccc(cc1)N1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C22H22FN3O2S/c23-18-7-9-19(10-8-18)25-14-11-24(12-15-25)13-16-26-20-5-1-3-17-4-2-6-21(22(17)20)29(26,27)28/h1-10H,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010040 (2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...) Show SMILES O=S1(=O)N(CCCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:10| Show InChI InChI=1S/C24H24N2O2S/c27-29(28)23-12-5-10-21-9-4-11-22(24(21)23)26(29)16-6-15-25-17-13-20(14-18-25)19-7-2-1-3-8-19/h1-5,7-13H,6,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047091 (2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-3,6-dihydro...) Show SMILES Fc1ccc2[nH]cc(CC3=CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:9| Show InChI InChI=1S/C26H24FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-9,16-17,28H,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047098 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6CCCN(c56)S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C25H29FN4O2S/c26-21-6-7-23-22(16-21)20(17-27-23)15-18-8-11-28(12-9-18)13-14-29-24-5-1-3-19-4-2-10-30(25(19)24)33(29,31)32/h1,3,5-7,16-18,27H,2,4,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047106 (2-{3-[4-(5-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 |t:8| Show InChI InChI=1S/C26H24ClN3O2S/c27-20-8-9-23-21(16-20)22(17-28-23)18-10-14-29(15-11-18)12-3-13-30-24-6-1-4-19-5-2-7-25(26(19)24)33(30,31)32/h1-2,4-10,16-17,28H,3,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047105 (2-(2-{4-[2-(5-Fluoro-1H-indol-3-yl)-ethyl]-piperid...) Show SMILES Fc1ccc2[nH]cc(CCC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C27H28FN3O2S/c28-22-9-10-24-23(17-22)21(18-29-24)8-7-19-11-13-30(14-12-19)15-16-31-25-5-1-3-20-4-2-6-26(27(20)25)34(31,32)33/h1-6,9-10,17-19,29H,7-8,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50029154 (5-Fluoro-3-piperidin-4-ylmethyl-1H-indole | CHEMBL...) Show SMILES Fc1ccc2[nH]cc(CC3CCNCC3)c2c1 Show InChI InChI=1S/C14H17FN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047102 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc4c56)CC3)c2c1 Show InChI InChI=1S/C27H26FN3O/c28-21-7-8-24-23(16-21)20(17-29-24)15-18-9-11-30(12-10-18)13-14-31-25-6-2-4-19-3-1-5-22(26(19)25)27(31)32/h1-8,16-18,29H,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047109 (2-{3-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C27H28FN3O2S/c28-22-8-9-24-23(17-22)21(18-29-24)16-19-10-14-30(15-11-19)12-3-13-31-25-6-1-4-20-5-2-7-26(27(20)25)34(31,32)33/h1-2,4-9,17-19,29H,3,10-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010052 (2-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...) Show SMILES O=S1(=O)N(CCCCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:11| Show InChI InChI=1S/C25H26N2O2S/c28-30(29)24-13-7-11-22-10-6-12-23(25(22)24)27(30)17-5-4-16-26-18-14-21(15-19-26)20-8-2-1-3-9-20/h1-3,6-14H,4-5,15-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010033 (2-[3-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-prop...) Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2noc3ccccc23)c2cccc3cccc1c23 Show InChI InChI=1S/C24H24N4O3S/c29-32(30)22-11-4-7-18-6-3-9-20(23(18)22)28(32)13-5-12-26-14-16-27(17-15-26)24-19-8-1-2-10-21(19)31-25-24/h1-4,6-11H,5,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010057 (2-[3-(4-Phenyl-piperazin-1-yl)-propyl]-2H-naphtho[...) Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23 Show InChI InChI=1S/C23H25N3O2S/c27-29(28)22-12-5-8-19-7-4-11-21(23(19)22)26(29)14-6-13-24-15-17-25(18-16-24)20-9-2-1-3-10-20/h1-5,7-12H,6,13-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010047 (2-{3-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Fc1ccccc1N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-1-2-9-20(19)26-16-14-25(15-17-26)12-5-13-27-21-10-3-6-18-7-4-11-22(23(18)21)30(27,28)29/h1-4,6-11H,5,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50010061 (2-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-2...) Show SMILES Fc1ccc(cc1)N1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C24H26FN3O2S/c25-20-9-11-21(12-10-20)27-17-15-26(16-18-27)13-1-2-14-28-22-7-3-5-19-6-4-8-23(24(19)22)31(28,29)30/h3-12H,1-2,13-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047107 (2-{2-[4-(5-Fluoro-1H-indol-2-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]c(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)cc2c1 Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-23-20(16-21)17-22(28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair

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