BDBM50168286 1H-Benzoimidazole-2-carboxylic acid [(R)-1-((1S,2R,3S)-1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-2-thiazol-4-yl-ethyl]-amide::CHEMBL190141

SMILES: O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cscn1)NC(=O)c1nc2ccccc2[nH]1)[C@@H](O)C1CC1

InChI Key: InChIKey=JHRSGCIIDRWHCD-UARRHKHWSA-N

Data: 5 IC50

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 5 hits for monomerid = 50168286   

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
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50168286 (1H-Benzoimidazole-2-carboxylic acid [(R)-1-((1S,2R...) Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cscn1)NC(=O)c1nc2ccccc2[nH]1)[C@@H](O)C1CC1 Show InChI InChI=1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibitory concentration against human P2X purinoceptor 3 (hP2X3) expressed in CHO-K1 cells				Bioorg Med Chem Lett 15: 3292-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.049 BindingDB Entry DOI: 10.7270/Q2GX4B38
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50168286 (1H-Benzoimidazole-2-carboxylic acid [(R)-1-((1S,2R...) Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cscn1)NC(=O)c1nc2ccccc2[nH]1)[C@@H](O)C1CC1 Show InChI InChI=1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibitory concentration against human P2X purinoreceptor 1 (hP2X1) expressed in CHO-K1 cells				Bioorg Med Chem Lett 15: 3292-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.049 BindingDB Entry DOI: 10.7270/Q2GX4B38
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50168286 (1H-Benzoimidazole-2-carboxylic acid [(R)-1-((1S,2R...) Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cscn1)NC(=O)c1nc2ccccc2[nH]1)[C@@H](O)C1CC1 Show InChI InChI=1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50168286 (1H-Benzoimidazole-2-carboxylic acid [(R)-1-((1S,2R...) Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cscn1)NC(=O)c1nc2ccccc2[nH]1)[C@@H](O)C1CC1 Show InChI InChI=1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at rat P2X1 receptor				J Med Chem 63: 6164-6178 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50168286 (1H-Benzoimidazole-2-carboxylic acid [(R)-1-((1S,2R...) Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cscn1)NC(=O)c1nc2ccccc2[nH]1)[C@@H](O)C1CC1 Show InChI InChI=1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibitory concentration against human P2X purinoceptor 2 (hP2X2) expressed in 1321N1 astrocytoma cells				Bioorg Med Chem Lett 15: 3292-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.049 BindingDB Entry DOI: 10.7270/Q2GX4B38
					More data for this Ligand-Target Pair