Compile Data Set for Download or QSAR

Found 3322 hits with Last Name = 'lim' and Initial = 'd'   

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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504750 (CHEMBL4536202) Show SMILES COC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3cc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H18N6O7S2/c1-40-26(35)24-30-32(17-8-10-19(11-9-17)42(28,38)39)27-29-21-14-16(22-3-2-12-41-22)13-20(23(21)25(34)31(24)27)15-4-6-18(7-5-15)33(36)37/h2-14H,1H3,(H2,28,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22542 (4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...) Show SMILES C(C1CCNCC1)c1cnc[nH]1 Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22542 (4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...) Show SMILES C(C1CCNCC1)c1cnc[nH]1 Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22916 (5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...) Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22916 (5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...) Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504776 (CHEMBL4441461) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)N\N=C(\CC(=O)c2ccccn2)C(F)(F)F)c1-c1ccccc1 Show InChI InChI=1S/C24H18F3N7O4S/c25-24(26,27)20(14-19(35)18-8-4-5-13-29-18)30-32-23(36)21-22(15-6-2-1-3-7-15)34(33-31-21)16-9-11-17(12-10-16)39(28,37)38/h1-13H,14H2,(H,32,36)(H2,28,37,38)/b30-20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22910 (4-(1H-imidazol-5-ylmethyl)pyridine | Immethridine) Show SMILES C(c1cnc[nH]1)c1ccncc1 Show InChI InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22909 (4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine | Me...) Show SMILES CN1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50419448 (CHEMBL1923026) Show SMILES Clc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1Cl |w:17.18| Show InChI InChI=1S/C20H26Cl2N4S/c21-18-9-8-15(11-19(18)22)12-24-20(26-16-5-2-1-3-6-16)27-10-4-7-17-13-23-14-25-17/h8-9,11,13-14,16H,1-7,10,12H2,(H,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50419444 (CHEMBL43934 | VUF-5228) Show SMILES Clc1ccc(CN=C(NC2CCCCC2)SCCCc2cnc[nH]2)cc1 |w:6.5| Show InChI InChI=1S/C20H27ClN4S/c21-17-10-8-16(9-11-17)13-23-20(25-18-5-2-1-3-6-18)26-12-4-7-19-14-22-15-24-19/h8-11,14-15,18H,1-7,12-13H2,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50419456 (CHEMBL1923034) Show SMILES [O-][N+](=O)c1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:19.20| Show InChI InChI=1S/C20H27N5O2S/c26-25(27)19-10-8-16(9-11-19)13-22-20(24-17-5-2-1-3-6-17)28-12-4-7-18-14-21-15-23-18/h8-11,14-15,17H,1-7,12-13H2,(H,21,23)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414391 (CHEMBL1202332 | CHEMBL553423) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12| Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22911 (2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...) Show SMILES NC(=N)SCCc1cnc[nH]1 Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22911 (2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...) Show SMILES NC(=N)SCCc1cnc[nH]1 Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50419455 (CHEMBL1923033) Show SMILES N#Cc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:18.19| Show InChI InChI=1S/C21H27N5S/c22-13-17-8-10-18(11-9-17)14-24-21(26-19-5-2-1-3-6-19)27-12-4-7-20-15-23-16-25-20/h8-11,15-16,19H,1-7,12,14H2,(H,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50233623 (CHEMBL4104013) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 1550-5 (2015) Article DOI: 10.1021/jm5013243 BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50233623 (CHEMBL4104013) Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 1550-5 (2015) Article DOI: 10.1021/jm5013243 BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50212876 (2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...) Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from eFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377859 (CHEMBL260621) Show SMILES CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 Show InChI InChI=1S/C32H36F4N4O3/c1-32(2,3)22-6-4-5-19(7-22)15-37-16-29(41)27(12-20-8-23(33)13-24(34)9-20)38-30(42)28-18-40(31(43)39-28)17-21-10-25(35)14-26(36)11-21/h4-11,13-14,27-29,37,41H,12,15-18H2,1-3H3,(H,38,42)(H,39,43)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22911 (2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...) Show SMILES NC(=N)SCCc1cnc[nH]1 Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212876 (2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...) Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414387 (CHEMBL1743881) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Br)cc1 |w:11.12| Show InChI InChI=1S/C14H17BrN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22912 (VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...) Show SMILES NC(=N)SCCCc1cnc[nH]1 Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50233626 (CHEMBL4062602) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1 Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method				J Med Chem 58: 1550-5 (2015) Article DOI: 10.1021/jm5013243 BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50233626 (CHEMBL4062602) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1 Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method				J Med Chem 58: 1550-5 (2015) Article DOI: 10.1021/jm5013243 BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212885 (CHEMBL245282 | [2'-(1-methyl-4,5-diphenyl-1H-imida...) Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1 Show InChI InChI=1S/C30H25N3O2/c1-33-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)32-30(33)26-18-9-8-17-25(26)23-15-10-16-24(19-23)31-20-27(34)35/h2-19,31H,20H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8136-47 (2011) Article DOI: 10.1021/jm201042n BindingDB Entry DOI: 10.7270/Q2MW2JDX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22912 (VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...) Show SMILES NC(=N)SCCCc1cnc[nH]1 Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50361010 (CHEMBL1935572) Show SMILES CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C17H19N5S/c1-21-5-7-22(8-6-21)16-14-3-2-12(13-4-9-23-11-13)10-15(14)19-17(18)20-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as inhibition of histamine-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 22: 461-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.104 BindingDB Entry DOI: 10.7270/Q2D79BT2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414388 (CHEMBL1202321) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(I)cc1 |w:11.12| Show InChI InChI=1S/C14H17IN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50233626 (CHEMBL4062602) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1 Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 1550-5 (2015) Article DOI: 10.1021/jm5013243 BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50233626 (CHEMBL4062602) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1 Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 1550-5 (2015) Article DOI: 10.1021/jm5013243 BindingDB Entry DOI: 10.7270/Q2F76FTG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504771 (CHEMBL4529889) Show SMILES COc1ccc(NC(=O)Nc2nc(N)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H17N7O4S/c1-27-12-6-2-10(3-7-12)19-16(24)21-15-20-14(17)23(22-15)11-4-8-13(9-5-11)28(18,25)26/h2-9H,1H3,(H2,18,25,26)(H4,17,19,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50582974 (CHEMBL5082587) Show SMILES Cc1nc(C)c(nc1C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114008 BindingDB Entry DOI: 10.7270/Q2988BW0
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212884 (CHEMBL245284 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...) Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C31H26N2O3/c1-2-33-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)32-31(33)27-19-10-9-18-26(27)24-16-11-17-25(20-24)36-21-28(34)35/h3-20H,2,21H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212877 (CHEMBL245653 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...) Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1 Show InChI InChI=1S/C31H27N3O2/c1-2-34-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)33-31(34)27-19-10-9-18-26(27)24-16-11-17-25(20-24)32-21-28(35)36/h3-20,32H,2,21H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212886 (CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...) Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504755 (CHEMBL4552517) Show SMILES Cc1ccc(NC(=O)Nc2nc(N)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H17N7O3S/c1-10-2-4-11(5-3-10)19-16(24)21-15-20-14(17)23(22-15)12-6-8-13(9-7-12)27(18,25)26/h2-9H,1H3,(H2,18,25,26)(H4,17,19,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50212876 (2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...) Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from mFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22530 (N(alpha)-Methylhistamine | N-alpha-methylhistamine...) Show SMILES CNCCc1cnc[nH]1 Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50361035 (CHEMBL1935571) Show SMILES CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccoc1 Show InChI InChI=1S/C17H19N5O/c1-21-5-7-22(8-6-21)16-14-3-2-12(13-4-9-23-11-13)10-15(14)19-17(18)20-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as inhibition of histamine-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 22: 461-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.104 BindingDB Entry DOI: 10.7270/Q2D79BT2
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50361010 (CHEMBL1935572) Show SMILES CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C17H19N5S/c1-21-5-7-22(8-6-21)16-14-3-2-12(13-4-9-23-11-13)10-15(14)19-17(18)20-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes				Bioorg Med Chem Lett 22: 461-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.104 BindingDB Entry DOI: 10.7270/Q2D79BT2
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50361015 (CHEMBL592379) Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C21H25ClN6O2S/c1-27-10-12-28(13-11-27)21-24-19-8-7-16(22)15-18(19)20(25-21)23-9-14-31(29,30)26-17-5-3-2-4-6-17/h2-8,15,26H,9-14H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes				Bioorg Med Chem Lett 22: 461-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.104 BindingDB Entry DOI: 10.7270/Q2D79BT2
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes				Bioorg Med Chem Lett 22: 461-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.104 BindingDB Entry DOI: 10.7270/Q2D79BT2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22907 (4-(1H-imidazol-5-yl)butan-1-amine | Imbutamine) Show SMILES NCCCCc1cnc[nH]1 Show InChI InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50582963 (CHEMBL5075785) Show SMILES Cc1nc(C)c(nc1C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114008 BindingDB Entry DOI: 10.7270/Q2988BW0
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504759 (CHEMBL4587956) Show SMILES Nc1nc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H16N8O5S2/c16-13-20-14(22-23(13)10-3-7-12(8-4-10)30(18,27)28)21-15(24)19-9-1-5-11(6-2-9)29(17,25)26/h1-8H,(H2,17,25,26)(H2,18,27,28)(H4,16,19,20,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114008 BindingDB Entry DOI: 10.7270/Q2988BW0
					More data for this Ligand-Target Pair

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