BDBM50344964 Betamipron::CHEMBL1231530::N-(phenylcarbonyl)-beta-alanine

SMILES: OC(=O)CCNC(=O)c1ccccc1

InChI Key: InChIKey=CWXYHOHYCJXYFQ-UHFFFAOYSA-N

Data: 4 KI  10 IC50

PDB links: 1 PDB ID matches 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 = 50344964   

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
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Oat1 expressed in Drosophila S2 cells				Bioorg Med Chem 19: 3320-40 (2011) Article DOI: 10.1016/j.bmc.2011.04.045 BindingDB Entry DOI: 10.7270/Q2TB17WF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells				Eur J Pharmacol 419: 113-20 (2001) BindingDB Entry DOI: 10.7270/Q2S183SP
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells				Eur J Pharmacol 419: 113-20 (2001) BindingDB Entry DOI: 10.7270/Q2S183SP
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells				J Pharmacol Exp Ther 301: 797-802 (2002) BindingDB Entry DOI: 10.7270/Q2V989BQ
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	9.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cells				J Pharmacol Sci 94: 197-202 (2004) BindingDB Entry DOI: 10.7270/Q27M0915
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.83E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT4-expressing S2 cells				J Pharmacol Sci 94: 197-202 (2004) BindingDB Entry DOI: 10.7270/Q27M0915
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in hOAT1-expressing S2 cells				J Pharmacol Sci 94: 197-202 (2004) BindingDB Entry DOI: 10.7270/Q27M0915
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells				J Pharmacol Exp Ther 295: 10-5 (2000) BindingDB Entry DOI: 10.7270/Q2TB186W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Rattus norvegicus)	BDBM50344964 (Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...) Show SMILES OC(=O)CCNC(=O)c1ccccc1 Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in rOAT3-expressing S2 cells				J Pharmacol Sci 94: 197-202 (2004) BindingDB Entry DOI: 10.7270/Q27M0915
					More data for this Ligand-Target Pair