BindingDB PrimarySearch

null

SMILES: NCCc1cnc[nH]1

InChI Key: InChIKey=NTYJJOPFIAHURM-UHFFFAOYSA-N

PDB links: 8 PDB IDs match this monomer. 50 PDB IDs contain this monomer as substructures. 50 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 117 hits for monomerid = 7966
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histamine H1 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	191	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase assay				J Med Chem 52: 6297-313 (2009) Article DOI: 10.1021/jm900526h BindingDB Entry DOI: 10.7270/Q2PN96VG
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay				J Med Chem 52: 6297-313 (2009) Article DOI: 10.1021/jm900526h BindingDB Entry DOI: 10.7270/Q2PN96VG
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H3 receptor expressed in Sf9 cells coexpressing Gialpha-2-Gbeta-1-gamma-2 and RGS4 proteins protein by steady-sta...				J Med Chem 52: 6297-313 (2009) Article DOI: 10.1021/jm900526h BindingDB Entry DOI: 10.7270/Q2PN96VG
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	12.0	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay				J Med Chem 52: 6297-313 (2009) Article DOI: 10.1021/jm900526h BindingDB Entry DOI: 10.7270/Q2PN96VG
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	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
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	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
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	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
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	191	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
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	12.9	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
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	191	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H1 receptor expressed in insect Sf9 cells co-expressing RGS4 assessed as gamma[32P]GTP binding by liquid scintillation coun...				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at histamine H2 receptor in guinea pig atrium assessed as increase in heart rate				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H2 receptor expressed in insect Sf9 cells co-expressing GsalphaS fusion protein assessed as gamma[32P]GTP binding by liquid...				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H4 receptor expressed in insect Sf9 cells co-expressing RGS19 fusion protein and Gialpha2, Gbeta1gamma2 assessed as gamma[3...				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H3 receptor expressed in insect Sf9 cells co-expressing Gialpha2, Gbeta1gamma2 and RGS4 assessed as gamma[32P]GTP binding b...				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	9.12	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
University of Regensburg Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human histamine H4 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation by luciferas...				J Med Chem 54: 1693-703 (2011) Article DOI: 10.1021/jm1013488 BindingDB Entry DOI: 10.7270/Q20G3MDD
VU University Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine \| CHEMBL544208 \|...) Show SMILES NCCc1cnc[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human histamine H3 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation by luciferas...				J Med Chem 54: 1693-703 (2011) Article DOI: 10.1021/jm1013488 BindingDB Entry DOI: 10.7270/Q20G3MDD
VU University Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair

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