Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50041124   

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 H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405160 (CHEMBL1744352) Show SMILES Cc1nc[nH]c1CSCCNC(=N)NCCCc1nccs1 Show InChI InChI=1S/C14H22N6S2/c1-11-12(20-10-19-11)9-21-7-5-18-14(15)17-4-2-3-13-16-6-8-22-13/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)(H3,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405178 (CHEMBL282769) Show SMILES CNC(=N)NCCc1cnc[nH]1 Show InChI InChI=1S/C7H13N5/c1-9-7(8)11-3-2-6-4-10-5-12-6/h4-5H,2-3H2,1H3,(H,10,12)(H3,8,9,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	>5.01E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405162 (CHEMBL1626961) Show SMILES CSC(NCCCc1cnc[nH]1)=[NH+]CCSCc1[nH]cnc1C |w:12.13| Show InChI InChI=1S/C15H24N6S2/c1-12-14(21-11-19-12)9-23-7-6-18-15(22-2)17-5-3-4-13-8-16-10-20-13/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)(H,17,18)(H,19,21)/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig was evaluated				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405163 (CHEMBL541027) Show SMILES CNC(=N)NCCCc1nccs1 Show InChI InChI=1S/C8H14N4S/c1-10-8(9)12-4-2-3-7-11-5-6-13-7/h5-6H,2-4H2,1H3,(H3,9,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405164 (CHEMBL1744351) Show SMILES Cc1nc[nH]c1CSCCNC(=N)NCCSCc1nccs1 Show InChI InChI=1S/C14H22N6S3/c1-11-12(20-10-19-11)8-21-5-2-17-14(15)18-3-6-22-9-13-16-4-7-23-13/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,19,20)(H3,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	776	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405165 (CHEMBL540256) Show SMILES CSC(=N)NCCCc1cnc[nH]1 Show InChI InChI=1S/C8H14N4S/c1-13-8(9)11-4-2-3-7-5-10-6-12-7/h5-6H,2-4H2,1H3,(H2,9,11)(H,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405166 (CHEMBL555668) Show SMILES CNC(=N)NCCSCc1cnc[nH]1 Show InChI InChI=1S/C8H15N5S/c1-10-8(9)12-2-3-14-5-7-4-11-6-13-7/h4,6H,2-3,5H2,1H3,(H,11,13)(H3,9,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.17E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405167 (CHEMBL29770) Show SMILES Cc1nc[nH]c1CSCCNC(=O)NCCCc1cnc[nH]1 Show InChI InChI=1S/C14H22N6OS/c1-11-13(20-10-18-11)8-22-6-5-17-14(21)16-4-2-3-12-7-15-9-19-12/h7,9-10H,2-6,8H2,1H3,(H,15,19)(H,18,20)(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405168 (CHEMBL30946) Show SMILES Cc1nc[nH]c1CSCCNC(=S)NCCCc1cnc[nH]1 Show InChI InChI=1S/C14H22N6S2/c1-11-13(20-10-18-11)8-22-6-5-17-14(21)16-4-2-3-12-7-15-9-19-12/h7,9-10H,2-6,8H2,1H3,(H,15,19)(H,18,20)(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405169 (CHEMBL542087) Show SMILES CNC(=N)NCCSCc1[nH]cnc1C Show InChI InChI=1S/C9H17N5S/c1-7-8(14-6-13-7)5-15-4-3-12-9(10)11-2/h6H,3-5H2,1-2H3,(H,13,14)(H3,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405170 (CHEMBL540005) Show SMILES CNC(=N)NCCCc1cnc[nH]1 Show InChI InChI=1S/C8H15N5/c1-10-8(9)12-4-2-3-7-5-11-6-13-7/h5-6H,2-4H2,1H3,(H,11,13)(H3,9,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405171 (CHEMBL1744353) Show SMILES CNC(=N)NCCSCc1nccs1 Show InChI InChI=1S/C8H14N4S2/c1-10-8(9)12-2-4-13-6-7-11-3-5-14-7/h3,5H,2,4,6H2,1H3,(H3,9,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405172 (CHEMBL543520) Show SMILES Cc1nc[nH]c1CSCCNC(=N)SCCCc1cnc[nH]1 Show InChI InChI=1S/C14H22N6S2/c1-11-13(20-10-18-11)8-21-6-4-17-14(15)22-5-2-3-12-7-16-9-19-12/h7,9-10H,2-6,8H2,1H3,(H2,15,17)(H,16,19)(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405173 (CHEMBL545393) Show SMILES Cc1nc[nH]c1CSCCNC(=N)NCCSCc1[nH]cnc1C Show InChI InChI=1S/C15H25N7S2/c1-11-13(21-9-19-11)7-23-5-3-17-15(16)18-4-6-24-8-14-12(2)20-10-22-14/h9-10H,3-8H2,1-2H3,(H,19,21)(H,20,22)(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405174 (CHEMBL30761) Show SMILES Cc1nc[nH]c1CSCCNC(NCCCc1cnc[nH]1)=NC#N |w:21.23| Show InChI InChI=1S/C15H22N8S/c1-12-14(23-11-21-12)8-24-6-5-19-15(20-9-16)18-4-2-3-13-7-17-10-22-13/h7,10-11H,2-6,8H2,1H3,(H,17,22)(H,21,23)(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405175 (CHEMBL30578) Show SMILES Cc1nc[nH]c1CSCCNC(=N)NCCCc1cn(C)cn1 Show InChI InChI=1S/C15H25N7S/c1-12-14(20-10-19-12)9-23-7-6-18-15(16)17-5-3-4-13-8-22(2)11-21-13/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405176 (CHEMBL542817) Show SMILES CSC(=N)NCCSCc1[nH]cnc1C Show InChI InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(10)14-2/h6H,3-5H2,1-2H3,(H2,10,11)(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405177 (CHEMBL545625) Show SMILES Cc1nc[nH]c1CSCCNC(=N)NCCCCc1cnc[nH]1 Show InChI InChI=1S/C15H25N7S/c1-12-14(22-11-20-12)9-23-7-6-19-15(16)18-5-3-2-4-13-8-17-10-21-13/h8,10-11H,2-7,9H2,1H3,(H,17,21)(H,20,22)(H3,16,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50405161 (CHEMBL555309) Show SMILES CNC(=N)NCCCCc1cnc[nH]1 Show InChI InChI=1S/C9H17N5/c1-11-9(10)13-5-3-2-4-8-6-12-7-14-8/h6-7H,2-5H2,1H3,(H,12,14)(H3,10,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair