BDBM50322633 (S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-phenylpropanamido)-3-(1H-indol-3-yl)propanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)propanamido)-5-guanidinopentanoic acid::CHEMBL1170046

SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=KSYZWFMILBZVJF-KSEFBTEXSA-N

Data: 2 IC50  1 EC50

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 = 50322633   

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
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322633 ((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C40H56N10O7/c1-23(2)19-31(36(53)46-24(3)34(51)47-30(39(56)57)15-9-17-44-40(42)43)48-37(54)33-16-10-18-50(33)38(55)32(21-26-22-45-29-14-8-7-13-27(26)29)49-35(52)28(41)20-25-11-5-4-6-12-25/h4-8,11-14,22-24,28,30-33,45H,9-10,15-21,41H2,1-3H3,(H,46,53)(H,47,51)(H,48,54)(H,49,52)(H,56,57)(H4,42,43,44)/t24-,28-,30-,31-,32-,33-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322633 ((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C40H56N10O7/c1-23(2)19-31(36(53)46-24(3)34(51)47-30(39(56)57)15-9-17-44-40(42)43)48-37(54)33-16-10-18-50(33)38(55)32(21-26-22-45-29-14-8-7-13-27(26)29)49-35(52)28(41)20-25-11-5-4-6-12-25/h4-8,11-14,22-24,28,30-33,45H,9-10,15-21,41H2,1-3H3,(H,46,53)(H,47,51)(H,48,54)(H,49,52)(H,56,57)(H4,42,43,44)/t24-,28-,30-,31-,32-,33-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Homo sapiens (Human))	BDBM50322633 ((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C40H56N10O7/c1-23(2)19-31(36(53)46-24(3)34(51)47-30(39(56)57)15-9-17-44-40(42)43)48-37(54)33-16-10-18-50(33)38(55)32(21-26-22-45-29-14-8-7-13-27(26)29)49-35(52)28(41)20-25-11-5-4-6-12-25/h4-8,11-14,22-24,28,30-33,45H,9-10,15-21,41H2,1-3H3,(H,46,53)(H,47,51)(H,48,54)(H,49,52)(H,56,57)(H4,42,43,44)/t24-,28-,30-,31-,32-,33-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release				J Med Chem 53: 4938-48 (2010) Article DOI: 10.1021/jm1003705 BindingDB Entry DOI: 10.7270/Q2QR4X9F
					More data for this Ligand-Target Pair