BDBM50356278 CHEMBL1910947

SMILES: Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O

InChI Key: InChIKey=UVYJHWNDILNUCV-UHFFFAOYSA-N

Data: 5 KI  1 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 6 hits for monomerid = 50356278   

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
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50356278 (CHEMBL1910947) Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in presence of 5 mM MgCl2				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50356278 (CHEMBL1910947) Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
					More data for this Ligand-Target Pair
CGRP (RAT)	BDBM50356278 (CHEMBL1910947) Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat CGRP				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50356278 (CHEMBL1910947) Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production af...				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50356278 (CHEMBL1910947) Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50356278 (CHEMBL1910947) Show SMILES Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O Show InChI InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
					More data for this Ligand-Target Pair