BDBM203867 3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic acid (4)

SMILES: NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1

InChI Key: InChIKey=JPBFPBAFCGZOAS-UHFFFAOYSA-N

Data: 2 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 203867   

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
Complement factor D [24-253] (Homo sapiens (Human))	BDBM203867 (3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...) Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1 Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor B [470-764] (Homo sapiens (Human))	BDBM203867 (3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...) Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1 Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	4
Novartis Pharma AG					Assay Description Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM203867 (3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...) Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1 Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D (Homo sapiens (Human))	BDBM203867 (3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...) Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1 Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [19F]-Methyl (S)-2-((2-((3-(Trifluoromethoxy)phenyl)carbamoyl)-pyrrolidine-1-carboxamido)methyl)benzoate from recombinant human compl...				J Med Chem 60: 1946-1958 (2017) Article DOI: 10.1021/acs.jmedchem.6b01684 BindingDB Entry DOI: 10.7270/Q2ZG6VHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D (Homo sapiens (Human))	BDBM203867 (3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...) Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1 Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to 15-N labeled complement factor D (unknown origin) by 1H-15N HSQC NMR analysis				ACS Med Chem Lett 9: 490-495 (2018) Article DOI: 10.1021/acsmedchemlett.8b00104 BindingDB Entry DOI: 10.7270/Q2K35X6P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D (Homo sapiens (Human))	BDBM203867 (3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...) Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1 Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to recombinant human 15-N labeled complement factor D catalytic domain (G24 to A253 residues) expressed in expressed in Escherichia ...				J Med Chem 60: 5717-5735 (2017) Article DOI: 10.1021/acs.jmedchem.7b00425 BindingDB Entry DOI: 10.7270/Q2TB195V
					More data for this Ligand-Target Pair				3D Structure (crystal)