Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'pasricha' and Initial = 'p'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(2) dopamine receptor (Homo sapiens (Human))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in b...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in b...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50241107 (1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...) Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in b...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in b...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50241107 (1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...) Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	US Patent	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in b...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM179868 (US11147820, Compound Metopimazine acid | US9132134...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=O)c2c1 Show InChI InChI=1S/C22H26N2O4S2/c1-30(27,28)17-7-8-21-19(15-17)24(18-5-2-3-6-20(18)29-21)12-4-11-23-13-9-16(10-14-23)22(25)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank US Patent	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM179868 (US11147820, Compound Metopimazine acid | US9132134...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=O)c2c1 Show InChI InChI=1S/C22H26N2O4S2/c1-30(27,28)17-7-8-21-19(15-17)24(18-5-2-3-6-20(18)29-21)12-4-11-23-13-9-16(10-14-23)22(25)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM179868 (US11147820, Compound Metopimazine acid | US9132134...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=O)c2c1 Show InChI InChI=1S/C22H26N2O4S2/c1-30(27,28)17-7-8-21-19(15-17)24(18-5-2-3-6-20(18)29-21)12-4-11-23-13-9-16(10-14-23)22(25)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogastrx, Inc. US Patent					Assay Description The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a ...				US Patent US9132134 (2015) BindingDB Entry DOI: 10.7270/Q2GM8631
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM179867 (US11147820, Compound Metopimazine | US9132134, Met...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1 Show InChI InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The functional antagonist assay was performed as described in Payne, S. L et al. (2002) J. Neurochem., 82: 1106-1117, hereby incorporated by referenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50241107 (1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...) Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The functional antagonist assay was performed as described in Payne, S. L et al. (2002) J. Neurochem., 82: 1106-1117, hereby incorporated by referenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86721 (BUTACLAMOL | CAS_51152-91-1 | NSC_37459 | US111478...) Show SMILES CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(C2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The functional antagonist assay was performed as described in Payne, S. L et al. (2002) J. Neurochem., 82: 1106-1117, hereby incorporated by referenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The functional antagonist assay was performed as described in Payne, S. L et al. (2002) J. Neurochem., 82: 1106-1117, hereby incorporated by referenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM179868 (US11147820, Compound Metopimazine acid | US9132134...) Show SMILES CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=O)c2c1 Show InChI InChI=1S/C22H26N2O4S2/c1-30(27,28)17-7-8-21-19(15-17)24(18-5-2-3-6-20(18)29-21)12-4-11-23-13-9-16(10-14-23)22(25)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The functional antagonist assay was performed as described in Payne, S. L et al. (2002) J. Neurochem., 82: 1106-1117, hereby incorporated by referenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TM7F8W
					More data for this Ligand-Target Pair