BDBM50420178 GUANIDINE

SMILES: NC(N)=N

InChI Key: InChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-N

Data: 4 KI  3 IC50  7 EC50

PDB links: 103 PDB IDs match this monomer.

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 14 hits for monomerid = 50420178   

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
Adrenaline alpha2 (RAT)	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	PubMed	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake in OCT2-expressing HEK293 cells				Mol Pharmacol 56: 1-10 (1999) BindingDB Entry DOI: 10.7270/Q2KK9D21
					More data for this Ligand-Target Pair
Adrenaline alpha2 (RAT)	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	PubMed	7.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cells				J Pharmacol Exp Ther 287: 800-5 (1998) BindingDB Entry DOI: 10.7270/Q2D79CQ4
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	PubMed	7.24E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells				J Pharmacol Exp Ther 287: 800-5 (1998) BindingDB Entry DOI: 10.7270/Q2D79CQ4
					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank Article PubMed	6.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Georgia Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HRPE cells				Am J Physiol Renal Physiol 279: 449-58 (2000) Article DOI: 10.1152/ajprenal.2000.279.3.f449 BindingDB Entry DOI: 10.7270/Q2708482
					More data for this Ligand-Target Pair
Adrenaline alpha2 (RAT)	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank Article PubMed	n/a	n/a	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA. Curated by ChEMBL					Assay Description Inhibition of OCT3 (unknown origin)				Bioorg Med Chem Lett 27: 4440-4445 (2017) Article DOI: 10.1016/j.bmcl.2017.08.008 BindingDB Entry DOI: 10.7270/Q24M970C
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.91E+8	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity full length human N-terminal His6-tagged LDH-H K4A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.24E+8	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity full length human N-terminal His6-tagged LDH-H L3A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.47E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.54E+8	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity full length human N-terminal His6-tagged LDH-H K6A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.78E+8	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity full length human N-terminal His6-tagged LDH-H T2A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.11E+9	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by n...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.33E+8	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity full length human N-terminal His6-tagged LDH-H I8A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.01E+9	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity full length human N-terminal His6-tagged LDH-H E5A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955
					More data for this Ligand-Target Pair