Compile Data Set for Download or QSAR

Found 451 hits with Last Name = 'bakker' and Initial = 'ra'   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50079527 ((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50079527 ((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50079527 ((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423169 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C24H27N7O/c1-14-15(2-5-22(28-14)30-10-16-8-17(16)11-30)12-31-13-18(9-27-31)24(32)29-21-4-3-20-19(21)6-7-26-23(20)25/h2,5-7,9,13,16-17,21H,3-4,8,10-12H2,1H3,(H2,25,26)(H,29,32)/t16?,17?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423183 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES COc1ccc(CNc2nccc3[C@@H](CCc23)NC(=O)c2cnn(Cc3ccc(nc3C)N3C[C@H]4[C@@H](C3)[C@H]4C#N)c2)c(OC)c1 |r| Show InChI InChI=1S/C34H36N8O3/c1-20-22(5-9-32(39-20)41-18-28-27(13-35)29(28)19-41)16-42-17-23(15-38-42)34(43)40-30-8-7-26-25(30)10-11-36-33(26)37-14-21-4-6-24(44-2)12-31(21)45-3/h4-6,9-12,15,17,27-30H,7-8,14,16,18-19H2,1-3H3,(H,36,37)(H,40,43)/t27-,28+,29-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423170 (US10501440, Example 2) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3CC3C2)c1 |r| Show InChI InChI=1S/C25H29N7O/c1-14-7-21-20(24(26)28-14)4-5-22(21)30-25(33)19-9-27-32(13-19)12-16-3-6-23(29-15(16)2)31-10-17-8-18(17)11-31/h3,6-7,9,13,17-18,22H,4-5,8,10-12H2,1-2H3,(H2,26,28)(H,30,33)/t17?,18?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423171 (US10501440, Example 3) Show SMILES Cc1nn(Cc2ccc(nc2C)N2CC3CC3C2)cc1C(=O)N[C@@H]1CCc2c1ccnc2N |r| Show InChI InChI=1S/C25H29N7O/c1-14-16(3-6-23(28-14)31-10-17-9-18(17)11-31)12-32-13-21(15(2)30-32)25(33)29-22-5-4-20-19(22)7-8-27-24(20)26/h3,6-8,13,17-18,22H,4-5,9-12H2,1-2H3,(H2,26,27)(H,29,33)/t17?,18?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50079527 ((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					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	0.339	-54.1	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423180 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3C(C2)C3(F)F)c1 |r| Show InChI InChI=1S/C25H27F2N7O/c1-13-7-18-17(23(28)30-13)4-5-21(18)32-24(35)16-8-29-34(10-16)9-15-3-6-22(31-14(15)2)33-11-19-20(12-33)25(19,26)27/h3,6-8,10,19-21H,4-5,9,11-12H2,1-2H3,(H2,28,30)(H,32,35)/t19?,20?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423185 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES COc1ccc(CNc2nc(C)cc3[C@@H](CCc23)NC(=O)c2cn(Cc3ccc(nc3C)N3CC4CC4C3)nc2C)c(OC)c1 |r| Show InChI InChI=1S/C35H41N7O3/c1-20-12-29-28(34(37-20)36-15-23-6-8-27(44-4)14-32(23)45-5)9-10-31(29)39-35(43)30-19-42(40-22(30)3)18-24-7-11-33(38-21(24)2)41-16-25-13-26(25)17-41/h6-8,11-12,14,19,25-26,31H,9-10,13,15-18H2,1-5H3,(H,36,37)(H,39,43)/t25?,26?,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423174 (US10501440, Example 5) Show SMILES Cc1nc(ccc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C23H26N8O/c1-13-14(2-5-21(26-13)30-9-15-8-16(15)10-30)11-31-12-20(28-29-31)23(32)27-19-4-3-18-17(19)6-7-25-22(18)24/h2,5-7,12,15-16,19H,3-4,8-11H2,1H3,(H2,24,25)(H,27,32)/t15?,16?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423173 (US10501440, Example 4) Show SMILES Cc1nc(ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)c(n1)C(F)(F)F)N1CC2CC2C1 |r| Show InChI InChI=1S/C25H26F3N7O/c1-13-14(2-5-21(31-13)34-9-15-8-16(15)10-34)11-35-12-19(22(33-35)25(26,27)28)24(36)32-20-4-3-18-17(20)6-7-30-23(18)29/h2,5-7,12,15-16,20H,3-4,8-11H2,1H3,(H2,29,30)(H,32,36)/t15?,16?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423179 (N-[(5R)-1-Amino-5H,6H,7H-cyclopenta[c]pyridin-5-yl...) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2C(C1)C2(F)F |r| Show InChI InChI=1S/C24H25F2N7O/c1-13-14(2-5-21(30-13)32-11-18-19(12-32)24(18,25)26)9-33-10-15(8-29-33)23(34)31-20-4-3-17-16(20)6-7-28-22(17)27/h2,5-8,10,18-20H,3-4,9,11-12H2,1H3,(H2,27,28)(H,31,34)/t18?,19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					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	0.407	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423187 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cnn(Cc2cnc(nc2C)N2CC3CC3C2)c1 |r| Show InChI InChI=1S/C24H28N8O/c1-13-5-20-19(22(25)28-13)3-4-21(20)30-23(33)18-8-27-32(12-18)11-17-7-26-24(29-14(17)2)31-9-15-6-16(15)10-31/h5,7-8,12,15-16,21H,3-4,6,9-11H2,1-2H3,(H2,25,28)(H,30,33)/t15?,16?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423188 (N-[(5R)-1-Amino-3-methyl-5H,6H,7H-cyclopenta[c]pyr...) Show SMILES Cc1cc2[C@@H](CCc2c(N)n1)NC(=O)c1cn(Cc2cnc(nc2C)N2CC3CC3C2)nn1 |r| Show InChI InChI=1S/C23H27N9O/c1-12-5-18-17(21(24)26-12)3-4-19(18)28-22(33)20-11-32(30-29-20)10-16-7-25-23(27-13(16)2)31-8-14-6-15(14)9-31/h5,7,11,14-15,19H,3-4,6,8-10H2,1-2H3,(H2,24,26)(H,28,33)/t14?,15?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					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))	BDBM50150945 (CHEBI:81390 | Immepip) Show SMILES C(C1CCNCC1)c1c[nH]cn1 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 KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor				J Med Chem 48: 2100-7 (2005) Article DOI: 10.1021/jm049475h BindingDB Entry DOI: 10.7270/Q28K7CVC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM22567 (3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...) Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM86032 (trans-H2-PAT(-) | trans-PAT) Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423182 (US10501440, Example 12) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1C[C@H]2[C@@H](CO)[C@H]2C1 |r| Show InChI InChI=1S/C25H29N7O2/c1-14-15(2-5-23(29-14)31-11-19-20(12-31)21(19)13-33)9-32-10-16(8-28-32)25(34)30-22-4-3-18-17(22)6-7-27-24(18)26/h2,5-8,10,19-22,33H,3-4,9,11-13H2,1H3,(H2,26,27)(H,30,34)/t19-,20+,21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					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 H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50292411 ((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...) Show SMILES Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM35938 (1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...) Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM22567 (3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...) Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					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 H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50292411 ((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...) Show SMILES Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22548 (2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...) Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6| Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	2	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					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))	BDBM50475340 (Methimepip) Show SMILES CN1CCC(Cc2c[nH]cn2)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	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor				J Med Chem 48: 2100-7 (2005) Article DOI: 10.1021/jm049475h BindingDB Entry DOI: 10.7270/Q28K7CVC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22567 (3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...) Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423184 (US10501440, Example 14) Show SMILES Cc1nc(ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CCC2(CC2)C1 |r| Show InChI InChI=1S/C25H29N7O/c1-16-17(2-5-22(29-16)31-11-9-25(15-31)7-8-25)13-32-14-18(12-28-32)24(33)30-21-4-3-20-19(21)6-10-27-23(20)26/h2,5-6,10,12,14,21H,3-4,7-9,11,13,15H2,1H3,(H2,26,27)(H,30,33)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50292411 ((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...) Show SMILES Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM86032 (trans-H2-PAT(-) | trans-PAT) Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22567 (3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...) Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM86033 (cis-H2-PAT(+/-) | trans-H2-PAT(+/-)) Show SMILES CN(C)C1CC(c2ccccc2)c2ccccc2C1 |w:3.2,5.5| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423181 (US10501440, Example 11) Show SMILES Cc1nc(ncc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1 |r| Show InChI InChI=1S/C23H26N8O/c1-13-16(7-26-23(28-13)30-9-14-6-15(14)10-30)11-31-12-17(8-27-31)22(32)29-20-3-2-19-18(20)4-5-25-21(19)24/h4-5,7-8,12,14-15,20H,2-3,6,9-11H2,1H3,(H2,24,25)(H,29,32)/t14?,15?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50292411 ((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...) Show SMILES Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM86033 (cis-H2-PAT(+/-) | trans-H2-PAT(+/-)) Show SMILES CN(C)C1CC(c2ccccc2)c2ccccc2C1 |w:3.2,5.5| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					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]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 H1 receptor (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM86032 (trans-H2-PAT(-) | trans-PAT) Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM423176 (US10501440, Example 7) Show SMILES Cc1nc(ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)c(n1)C(F)(F)F)N1CC2C(C1)C2(F)F |r| Show InChI InChI=1S/C25H24F5N7O/c1-12-13(2-5-20(33-12)36-10-17-18(11-36)24(17,26)27)8-37-9-16(21(35-37)25(28,29)30)23(38)34-19-4-3-15-14(19)6-7-32-22(15)31/h2,5-7,9,17-19H,3-4,8,10-11H2,1H3,(H2,31,32)(H,34,38)/t17?,18?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295...				US Patent US10501440 (2019) BindingDB Entry DOI: 10.7270/Q2QR50JS
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM35938 (1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...) Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 328-36 (2002) Article DOI: 10.1124/jpet.302.1.328 BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22538 (4-Benzyl-1H-imidazole derivative, 19 | 4-{[3-(2-ph...) Show SMILES C(c1cnc[nH]1)c1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C18H14N2/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(11-16)12-18-13-19-14-20-18/h1-8,11,13-14H,12H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
VU University Amsterdam					Assay Description Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...				J Med Chem 51: 2944-53 (2008) Article DOI: 10.1021/jm7014149 BindingDB Entry DOI: 10.7270/Q24F1P2W
					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

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