BDBM50173477 (S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentyl]-3-(3,5-dibromo-4-hydroxy-phenyl)-2-{3-[2-(3-methoxy-phenyl)-ethyl]-ureido}-propionamide::CHEMBL198925

SMILES: COc1cccc(CCNC(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)N[C@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)c1

InChI Key: InChIKey=QRTDBPVYMKZTKN-IHLOFXLRSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50173477   

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 type 1 receptor (Homo sapiens (Human))	BDBM50173477 ((S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COc1cccc(CCNC(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)N[C@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C34H43Br2N7O5/c1-48-26-6-4-5-23(19-26)8-14-39-34(47)41-30(22-24-20-27(35)31(44)28(36)21-24)32(45)40-29(7-2-3-11-37)33(46)43-17-15-42(16-18-43)25-9-12-38-13-10-25/h4-6,9-10,12-13,19-21,29-30,44H,2-3,7-8,11,14-18,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...				J Med Chem 48: 5921-31 (2005) Article DOI: 10.1021/jm0490641 BindingDB Entry DOI: 10.7270/Q2KS6R3J
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50173477 ((S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COc1cccc(CCNC(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)N[C@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C34H43Br2N7O5/c1-48-26-6-4-5-23(19-26)8-14-39-34(47)41-30(22-24-20-27(35)31(44)28(36)21-24)32(45)40-29(7-2-3-11-37)33(46)43-17-15-42(16-18-43)25-9-12-38-13-10-25/h4-6,9-10,12-13,19-21,29-30,44H,2-3,7-8,11,14-18,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Antagonistic activity against calcitonin gene related peptide receptor determined by measuring the formation of cyclic AMP in SK-N-MC cells				J Med Chem 48: 5921-31 (2005) Article DOI: 10.1021/jm0490641 BindingDB Entry DOI: 10.7270/Q2KS6R3J
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Rattus norvegicus)	BDBM50173477 ((S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COc1cccc(CCNC(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)N[C@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C34H43Br2N7O5/c1-48-26-6-4-5-23(19-26)8-14-39-34(47)41-30(22-24-20-27(35)31(44)28(36)21-24)32(45)40-29(7-2-3-11-37)33(46)43-17-15-42(16-18-43)25-9-12-38-13-10-25/h4-6,9-10,12-13,19-21,29-30,44H,2-3,7-8,11,14-18,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.05E+4	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Affinity against calcitonin gene related peptide receptor (1 uM) in rat spleen using [125I]-CGRP as radioligand after 180 minutes of incubation at pH...				J Med Chem 48: 5921-31 (2005) Article DOI: 10.1021/jm0490641 BindingDB Entry DOI: 10.7270/Q2KS6R3J
					More data for this Ligand-Target Pair