BDBM50356279 CHEMBL1910937

SMILES: CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O

InChI Key: InChIKey=BXNUIUWCMHAHET-OAQYLSRUSA-N

Data: 3 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 4 hits for monomerid = 50356279   

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))	BDBM50356279 (CHEMBL1910937) Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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))	BDBM50356279 (CHEMBL1910937) Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50356279 (CHEMBL1910937) Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	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
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50356279 (CHEMBL1910937) Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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