null

SMILES: Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl

InChI Key: InChIKey=PZYIAIVLQMGYOR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 71 hits for monomerid = 50310000   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	553	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha2A receptor (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	959	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha2A receptor (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium flux pretreated for 25 mins followed by ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium flux pretreated for 25 mins followed by ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	536	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of nAChR alpha1 (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium flux pretreated for 25 mins followed by ...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of nAChR alpha1 (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair