BDBM50415919 CHEMBL1094144

SMILES: C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1

InChI Key: InChIKey=WWEBJYNVUIMDCZ-LBPRGKRZSA-N

Data: 12 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50415919   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	91.2	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at histamine H2 receptor in spontaneously beating guinea pig atrium				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.33	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at GsalphaS-fused human histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28.8	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at GsalphaS-fused human histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.59	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at GsalphaS-fused guinea pig histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14.1	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at GsalphaS-fused guinea pig histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	69.2	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at histamine H2 receptor in spontaneously beating guinea pig atrium				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant histamine H3 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 and RGS4 by steady-state GTPase activit...				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant histamine H3 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 and RGS4 by steady-state GTPase activit...				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant GAIP-fused histamine H4 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 by steady-state GTPase activ...				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant GAIP-fused histamine H4 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 by steady-state GTPase activ...				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50415919 (CHEMBL1094144) Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8| Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair